Purpose

This markdown follows differential expression analyses from deseq2_GSE134719.Rmd, deseq2_GSE149739.Rmd, and deseq2_GSE69556.Rmd. DEGs from these markdowns are used as input for signatureSearch. Results are annotated with Drug Repurposing Hub and onSides data.
Data Sets - ’39 / Pre-Cystic P70: GSE149739
- ’19 / Cystic P21: GSE134719
- ’56 / Cystic P28: GSE69556

Load libraries

library(signatureSearch)
library(ggplot2)
library(ggalluvial)
library(readr)
library(signatureSearch)
library(ExperimentHub); library(rhdf5)
library(here)

Pull LINCS data from Experiment Hub

eh <- ExperimentHub()
cmap <- eh[["EH3223"]]; cmap_expr <- eh[["EH3224"]]
lincs <- eh[["EH3226"]]; lincs_expr <- eh[["EH3227"]]
h5ls(lincs)
##   group     name       otype dclass           dim
## 0     /    assay H5I_DATASET  FLOAT 12328 x 45956
## 1     / colnames H5I_DATASET STRING     45956 x 1
## 2     / rownames H5I_DATASET STRING     12328 x 1
db_path <- system.file("extdata", "sample_db.h5", package = "signatureSearch")

Custom functions

ssRun: Wrapper for qsiq(), signature query, using up and down genes, and gess_lincs(), the ‘lincs’ signatureSearch method for gene expression signature search, sorting the results by WTCS and calculating Tau values, and then filtering for inversely related signatures and for kidney cell lines (HA1E and NKDBA) only

ssRun <- function(upgenes, downgenes, cells){
  q <- qSig(query = list(upset=as.character(upgenes), downset=as.character(downgenes)), gess_method="LINCS", refdb= lincs)
  gess <- gess_lincs(q, sortby="WTCS", tau=TRUE, workers=1)
  gess_res <- result(gess)
  gess_res <- dplyr::filter(gess_res, WTCS < 0)
  if(cells == "kidney"){
    gess_kidney <- gess_res %>% dplyr::filter(cell == "HA1E" | cell == "NKDBA")
    return(gess_kidney)
  }
  else{
return(gess_res)
  }
}

GSE149739 (precystic dataset)

Load in top up and down DEGs

hom_degs_UP <- read.csv(here("res", "deseq2_outputs", "GSE149739_degs_UP_220421.csv"))
hom_degs_DOWN <- read.csv(here("res", "deseq2_outputs", "GSE149739_degs_DOWN_220421.csv"))

Run signatureSearch, filter for kidney cell lines

gess_kidneycells_39 <- ssRun(upgenes = hom_degs_UP$entrezgene_id, downgenes = hom_degs_DOWN$entrezgene_id, cells = "kidney")
## 100 / 100 genes in up set share identifiers with reference database
## 100 / 100 genes in down set share identifiers with reference database

Visualize Top 20

gess_res_vis(gess_kidneycells_39, drugs = unique(gess_kidneycells_39$pert)[1:20], col = "WTCS")

knitr::kable(gess_kidneycells_39, col.names = colnames(gess_kidneycells_39))
pert cell type trend WTCS WTCS_Pval WTCS_FDR NCS Tau TauRefSize NCSct N_upset N_downset t_gn_sym MOAss PCIDss
etoposide HA1E trt_cp down -0.4868071 0.0000223 0.0012714 -1.8364178 -99.33066 2241 -1.6417348 100 100 ABCB1; ABCC1; ABCC2; ABCC3; ABCG2; APAF1; BAX; CASP2; CASP6; CASP8; CASP9; CDKN1A; CYCS; CYP2E1; CYP3A5; DCK; FAS; H2AFX; KMT2A; LMNB1; MAPK8; MCL1; RB1; TOP2A; TOP2B; TP53 Topoisomerase inhibitor 73707602
amsacrine HA1E trt_cp down -0.4769293 0.0000228 0.0012714 -1.7991550 -98.75056 2241 -1.5002160 100 100 ALB; KCNH2; ORM1; TOP2A; TOP2B Topoisomerase inhibitor 2179
pyrvinium-pamoate HA1E trt_cp down -0.4599350 0.0000235 0.0012714 -1.7350462 -99.28603 2241 -1.5591281 100 100 AR AKT inhibitor 73707397
SA-1919710 NKDBA trt_cp down -0.4402283 0.0000244 0.0012714 -1.4769169 NA 229 -1.2946834 100 100 NA NA 54668959
TW-37 HA1E trt_cp down -0.4185416 0.0000253 0.0012714 -1.5788949 -98.48282 2241 -1.3194388 100 100 BCL2; BCL2L1; MCL1 BCL inhibitor 11455910
terfenadine HA1E trt_cp down -0.4059475 0.0000258 0.0012714 -1.5313850 -94.28826 2241 -1.2284263 100 100 CHRM1; CHRM4; CHRM5; HRH1; KCNH1; KCNH2 Histamine receptor antagonist 5405
NSC-663284 HA1E trt_cp down -0.4045818 0.0000259 0.0012714 -1.5262334 -92.94958 2241 -1.4857490 100 100 CDC25A; CDC25B; CDC25C CDC inhibitor 379077
BRD-K60870698 HA1E trt_cp down -0.4005568 0.0000261 0.0012714 -1.5110496 -95.31459 2241 -1.3447834 100 100 NA NA 3238417
CGP-71683 HA1E trt_cp down -0.4000399 0.0000261 0.0012714 -1.5090993 -91.65551 2241 -1.2038953 100 100 NPY5R Neuropeptide receptor antagonist 56668433
BRD-A47816767 HA1E trt_cp down -0.3949414 0.0000263 0.0012714 -1.4898661 -96.11780 2241 -1.3985359 100 100 NA NA 2876959
CD-437 HA1E trt_cp down -0.3897703 0.0000265 0.0012714 -1.4703586 -95.89469 2241 -1.4591912 100 100 RARG Retinoid receptor agonist 135411
NNC-55-0396 HA1E trt_cp down -0.3893145 0.0000266 0.0012714 -1.4686395 -91.20928 2241 -1.4253313 100 100 CATSPER1; CATSPER2; CATSPER3; CATSPER4 T-type calcium channel blocker 9957280
BRD-K92317137 HA1E trt_cp down -0.3877627 0.0000266 0.0012714 -1.4627853 -96.92102 2241 -0.6857114 100 100 NA NA 659101
CHEMBL-399379 NKDBA trt_cp down -0.3869892 0.0000267 0.0012714 -1.2983056 NA 229 -0.8698648 100 100 NA NA 16747776
SA-1459854 NKDBA trt_cp down -0.3866074 0.0000267 0.0012714 -1.2970249 NA 229 -0.8690067 100 100 NA NA 54660156
thapsigargin HA1E trt_cp down -0.3827852 0.0000269 0.0012714 -1.4440082 -93.48505 2241 -1.4489538 100 100 ATP2A1; ATP2A2; ATP2A3; ATP2C1; ATP2C2 ATPase inhibitor 5353993
SA-1922659 NKDBA trt_cp down -0.3774678 0.0000271 0.0012714 -1.2663623 NA 229 -1.1721838 100 100 NA NA 54668627
rhodomyrtoxin-b HA1E trt_cp down -0.3771924 0.0000271 0.0012714 -1.4229104 -87.99643 2241 -1.5074657 100 100 NA sodium fluorescein uptake inhibitor 3270699
AG-957 HA1E trt_cp down -0.3745827 0.0000272 0.0012714 -1.4130656 -91.38777 2241 0.0000000 100 100 ABL1; EGFR Protein tyrosine kinase inhibitor 2064
MW-STK33-2A NKDBA trt_cp down -0.3744920 0.0000272 0.0012714 -1.2563789 NA 229 -0.7378034 100 100 NA NA 709391
RS-17053 HA1E trt_cp down -0.3743746 0.0000272 0.0012714 -1.4122803 -92.05712 2241 -1.2244105 100 100 ADRA1A; ADRA1D Adrenergic receptor antagonist 3894573
BRD-K73610817 HA1E trt_cp down -0.3732910 0.0000273 0.0012714 -1.4081926 -93.21731 2241 -1.4116491 100 100 NA NA 3426979
IKK-2-inhibitor-V HA1E trt_cp down -0.3726417 0.0000273 0.0012714 -1.4057433 -88.88889 2241 -1.1115169 100 100 IKBKB IKK inhibitor; NFkB pathway inhibitor 5081913
BRD-K05153001 HA1E trt_cp down -0.3723020 0.0000273 0.0012714 -1.4044616 -87.72869 2241 -1.4048545 100 100 NA NA 665013
methylene-blue HA1E trt_cp down -0.3680950 0.0000275 0.0012714 -1.3885915 -93.08344 2241 -1.2769866 100 100 ACHE; MAPT Guanylyl cyclase inhibitor; Monoamine oxidase inhibitor; Nitric oxide production inhibitor; Tau aggregation inhibitor 4139
pyrvinium-pamoate NKDBA trt_cp down -0.3673161 0.0000275 0.0012714 -1.2323048 NA 229 -1.5591281 100 100 AR AKT inhibitor 73707397
irinotecan HA1E trt_cp down -0.3652801 0.0000276 0.0012714 -1.3779726 -96.20705 2241 -1.1134668 100 100 ABCB1; ABCC2; ABCG2; CES2; CES5A; CYP3A5; TOP1; TOP1MT Topoisomerase inhibitor 60838
LY-294002 NKDBA trt_cp down -0.3634064 0.0000278 0.0012714 -1.2191880 NA 229 -0.8124416 100 100 AKT1; CHEK1; GSK3B; LCK; MAPK11; MAPK12; MAPK14; MAPK8; MTOR; PDE2A; PIK3CA; PIK3CB; PIK3CD; PIK3CG; PIM1; PLK1; PRKCA; PRKDC; ROCK1; RPS6KB1; SGK1 DNA dependent protein kinase inhibitor; MTOR inhibitor; Phosphodiesterase inhibitor; PI3K inhibitor; PLK inhibitor 3973
camptothecin HA1E trt_cp down -0.3620031 0.0000278 0.0012714 -1.3656106 -91.74476 2241 -0.4162621 100 100 HIF1A; TOP1 Topoisomerase inhibitor 2538
SKI-II NKDBA trt_cp down -0.3617020 0.0000278 0.0012714 -1.2134700 NA 229 -0.0331254 100 100 SPHK1 NA 753704
NSC-3852 HA1E trt_cp down -0.3615493 0.0000278 0.0012714 -1.3638984 -89.82597 2241 -1.0979054 100 100 HDAC1 HDAC inhibitor 19103
SA-1458163 NKDBA trt_cp down -0.3607646 0.0000279 0.0012714 -1.2103252 NA 229 -0.8109179 100 100 NA NA 54658692
JAK3-inhibitor-VI HA1E trt_cp down -0.3602430 0.0000279 0.0012714 -1.3589708 -91.92325 2241 -1.1771555 100 100 NA JAK inhibitor 9947841
perhexiline HA1E trt_cp down -0.3600280 0.0000279 0.0012714 -1.3581595 -87.90718 2241 -1.3863599 100 100 CPT1A; CPT2; KCNH2 Carnitine palmitoyltransferase inhibitor 5284439
geldanamycin NKDBA trt_cp down -0.3597005 0.0000279 0.0012714 -1.2067552 NA 229 0.0000000 100 100 HSP90AA1; HSP90AB1; HSP90B1 HSP inhibitor 3460
BRD-K21064560 HA1E trt_cp down -0.3595615 0.0000279 0.0012714 -1.3563997 -84.29273 2241 -0.7744561 100 100 NA NA 16759163
dactinomycin HA1E trt_cp down -0.3582950 0.0000280 0.0012714 -1.3516223 -89.06738 2241 0.0000000 100 100 POLR2A; TOP2A; TOP2B RNA polymerase inhibitor 457193
lylamine HA1E trt_cp down -0.3554240 0.0000283 0.0012714 -1.3407918 -84.64971 2241 -0.8998443 100 100 CNR1 Cannabinoid receptor agonist 62034
PCI-24781 HA1E trt_cp down -0.3550670 0.0000283 0.0012714 -1.3394451 -89.55823 2241 -1.2527447 100 100 NA NA 11749858
ixazomib NKDBA trt_cp down -0.3533653 0.0000285 0.0012714 -1.1855011 NA 229 -1.2376759 100 100 PSMB5 NA 25183872
SA-1459234 NKDBA trt_cp down -0.3509703 0.0000289 0.0012714 -1.1774664 NA 229 -0.7889025 100 100 NA NA 54657607
niclosamide HA1E trt_cp down -0.3496072 0.0000290 0.0012714 -1.3188486 -84.56046 2241 -1.1260467 100 100 STAT3 DNA replication inhibitor; STAT inhibitor 4477
PD-198306 HA1E trt_cp down -0.3483597 0.0000297 0.0012714 -1.3141426 -87.72869 2241 -1.1234965 100 100 MAP2K1; MAP2K2; MAPK3 MAP kinase inhibitor; MEK inhibitor 9956637
MG-132 NKDBA trt_cp down -0.3482001 0.0000297 0.0012714 -1.1681727 NA 229 -1.1925714 100 100 PSMB1 Proteasome inhibitor 462382
BAY-11-7082 HA1E trt_cp down -0.3477551 0.0000297 0.0012714 -1.3118617 -85.76528 2241 0.0000000 100 100 NA NA 5353431
chlorambucil HA1E trt_cp down -0.3465515 0.0000299 0.0012714 -1.3073215 -94.46676 2241 -0.0195342 100 100 NA DNA inhibitor 2708
SA-84869 NKDBA trt_cp down -0.3454525 0.0000304 0.0012714 -1.1589546 NA 229 -1.0208108 100 100 NA NA 44492693
panobinostat NKDBA trt_cp down -0.3444832 0.0000307 0.0012714 -1.1557028 NA 229 -1.0232023 100 100 HDAC1; HDAC10; HDAC11; HDAC2; HDAC3; HDAC4; HDAC5; HDAC6; HDAC7; HDAC8; HDAC9 HDAC inhibitor 6918837
niguldipine HA1E trt_cp down -0.3435237 0.0000307 0.0012714 -1.2958995 -87.68407 2241 -1.3150547 100 100 ADRA1A; ADRA1B; ADRA1D; CACNA1C Adrenergic receptor antagonist; Calcium channel blocker 71317558
berbamine HA1E trt_cp down -0.3433573 0.0000314 0.0012714 -1.2952717 -89.37974 2241 -1.1006220 100 100 CALM1 Calmodulin antagonist 275182
wortmannin NKDBA trt_cp down -0.3424190 0.0000319 0.0012714 -1.1487776 NA 229 -1.0738443 100 100 ATM; ATR; MTOR; MYLK; PI4KA; PI4KB; PIK3C2B; PIK3C3; PIK3CA; PIK3CD; PIK3CG; PIK3R1; PIK3R4; PLK1; PLK2; PLK3; PRKDC PI3K inhibitor 312145
vorinostat NKDBA trt_cp down -0.3423947 0.0000319 0.0012714 -1.1486962 NA 229 -1.1540461 100 100 HDAC1; HDAC10; HDAC11; HDAC2; HDAC3; HDAC4; HDAC5; HDAC6; HDAC7; HDAC8; HDAC9 HDAC inhibitor 5311
BRD-K67774729 HA1E trt_cp down -0.3416256 0.0000319 0.0012714 -1.2887390 -88.79964 2241 -0.0271271 100 100 NA NA 54645916
CGK-733 HA1E trt_cp down -0.3382592 0.0000352 0.0013085 -1.2760399 -82.64168 2241 -1.2656002 100 100 ATM; ATR ATR kinase inhibitor 6605258
tyrphostin-AG-555 HA1E trt_cp down -0.3342903 0.0000407 0.0014142 -1.2610674 -82.24007 2241 0.0000000 100 100 CDK2; EGFR EGFR inhibitor 5328770
BRD-K11533227 HA1E trt_cp down -0.3341740 0.0000407 0.0014142 -1.2606290 -97.85810 2241 -0.6312668 100 100 NA NA NotFound
ER-27319 HA1E trt_cp down -0.3317938 0.0000438 0.0014707 -1.2516500 -82.68630 2241 0.0000000 100 100 NA Mediator release inhibitor; SYK inhibitor 9799509
trichostatin-a NKDBA trt_cp down -0.3314819 0.0000458 0.0015039 -1.1120847 NA 229 -1.0551294 100 100 HDAC1; HDAC10; HDAC2; HDAC3; HDAC4; HDAC5; HDAC6; HDAC7; HDAC8; HDAC9 CDK activator; HDAC inhibitor; ID1 inhibitor 444732
AM-404 HA1E trt_cp down -0.3303096 0.0000480 0.0015433 -1.2460508 -91.29853 2241 0.0000000 100 100 CNR1; CNR2; FAAH; TRPV1 Cyclooxygenase inhibitor; FAAH inhibitor; TRPV antagonist 6604822
alprenolol HA1E trt_cp down -0.3296228 0.0000480 0.0015433 -1.2434601 -90.80768 2241 0.0000000 100 100 ADCY10; ADRB1; ADRB2; ADRB3 Adrenergic receptor antagonist 2119
scriptaid HA1E trt_cp down -0.3293475 0.0000503 0.0015843 -1.2424214 -84.96207 2241 -1.2584441 100 100 HDAC1; HDAC2; HDAC3; HDAC4; HDAC5; HDAC6; HDAC7; HDAC8; HDAC9 HDAC inhibitor 5186
NTNCB HA1E trt_cp down -0.3282229 0.0000531 0.0016400 -1.2381791 -76.92994 2241 -0.0353765 100 100 NPY5R Neuropeptide receptor antagonist 9982218
H-89 HA1E trt_cp down -0.3267715 0.0000560 0.0016923 -1.2327039 -81.61535 2241 -1.0146206 100 100 GSG2; KCNA2; KCNA3; KCNA5; KCNAB2; KCNC1; KCNC2; KCNC3; KCNE1; KCNE2; KCNE3; KCNE4; KCNH1; KCNH2; KCNQ1; KCNQ2; KCNQ3; KCNQ5; KCNS3; PKIA; PRKACA PKA inhibitor 449241
avrainvillamide-analog-3 HA1E trt_cp down -0.3258991 0.0000594 0.0017635 -1.2294126 -86.65774 2241 -0.9940010 100 100 NPM1 nucleophosmin inhibitor 73707609
trichostatin-a HA1E trt_cp down -0.3251911 0.0000629 0.0018210 -1.2267418 -78.93797 2241 -1.0551294 100 100 HDAC1; HDAC10; HDAC2; HDAC3; HDAC4; HDAC5; HDAC6; HDAC7; HDAC8; HDAC9 CDK activator; HDAC inhibitor; ID1 inhibitor 444732
cucurbitacin-i HA1E trt_cp down -0.3244809 0.0000671 0.0019131 -1.2240628 -71.39670 2241 -0.9822442 100 100 JAK2; STAT3 JAK inhibitor; Lipocortin synthesis stimulant; STAT inhibitor 73707401
FCCP HA1E trt_cp down -0.3228046 0.0000720 0.0020066 -1.2177391 -83.40027 2241 -1.0797825 100 100 NA Mitochondrial oxidative phosphorylation uncoupler 3330
cercosporin HA1E trt_cp down -0.3224546 0.0000774 0.0021165 -1.2164188 -84.24810 2241 -1.2184113 100 100 NA Photoactivated toxin 91617
mitomycin-c HA1E trt_cp down -0.3221736 0.0000774 0.0021165 -1.2153589 -88.48728 2241 -0.8201074 100 100 NA DNA alkylating agent; DNA inhibitor; DNA synthesis inhibitor 5746
CMPD-1 HA1E trt_cp down -0.3207203 0.0000829 0.0022255 -1.2098763 -82.46319 2241 -0.0241975 100 100 GNRHR; MAPK14 p38 MAPK inhibitor 11382492
nortriptyline HA1E trt_cp down -0.3197447 0.0000892 0.0023409 -1.2061962 -79.60732 2241 -1.0465753 100 100 ADRA1A; ADRA1B; ADRA1D; ADRA2B; ADRA2C; ADRB1; ADRB2; ADRB3; CHRM1; CHRM4; CHRM5; HRH1; HTR6; KCNJ10; PGRMC1; PIK3CD; SIGMAR1; SLC6A2; SLC6A4 Tricyclic antidepressant 441358
brefeldin-a HA1E trt_cp down -0.3179295 0.0001033 0.0026249 -1.1993487 -86.39000 2241 -1.1685998 100 100 ARF1; ARFGEF1; ARFGEF2; CYTH2; GBF1; SAR1A Brefeldin A inhibited guanine nucleotide exchange protein inhibitor; Golgi-specific brefeldin A-resistance guanine nucleotide exchange factor inhibitor; Protein synthesis inhibitor 5287620
PSB-069 HA1E trt_cp down -0.3178956 0.0001033 0.0026249 -1.1992207 -93.84203 2241 0.0000000 100 100 ENTPD1; ENTPD2; ENTPD3 NTPDase inhibitor 24868311
SA-425500 NKDBA trt_cp down -0.3177250 0.0001033 0.0026249 -1.0659321 NA 229 0.0000000 100 100 NA NA 44498587
ixazomib HA1E trt_cp down -0.3175344 0.0001033 0.0026249 -1.1978581 -85.58679 2241 -1.2376759 100 100 PSMB5 NA 25183872
vinpocetine HA1E trt_cp down -0.3150868 0.0001317 0.0031740 -1.1886249 -91.34315 2241 0.0000000 100 100 PDE1A; PDE1C; SCN10A Phosphodiesterase inhibitor; Sodium channel blocker 5673
15-delta-prostaglandin-j2 HA1E trt_cp down -0.3149812 0.0001317 0.0031740 -1.1882264 -85.63141 2241 0.0000000 100 100 NR1H4; PPARG PPAR receptor agonist 6375741
SB-225002 HA1E trt_cp down -0.3149142 0.0001317 0.0031740 -1.1879736 -84.60509 2241 0.0000000 100 100 CXCR2 CC chemokine receptor antagonist 3854666
WR-216174 HA1E trt_cp down -0.3139955 0.0001429 0.0033629 -1.1845079 -64.88175 2241 -0.0287141 100 100 NA PFMRK inhibitor 10405323
BRD-K07079548 HA1E trt_cp down -0.3134520 0.0001554 0.0035934 -1.1824578 -83.40027 2241 -0.7483347 100 100 NA NA 11957524
BRD-K01121114 HA1E trt_cp down -0.3118961 0.0001678 0.0038026 -1.1765884 -86.83623 2241 -0.9437257 100 100 NA NA 49843203
SA-1921574 NKDBA trt_cp down -0.3111083 0.0001829 0.0040775 -1.0437337 NA 229 -0.4148821 100 100 NA NA 54669029
menadione HA1E trt_cp down -0.3105738 0.0001829 0.0040775 -1.1716000 -71.88755 2241 -0.8253642 100 100 AOX1; BGLAP; CDC25A; F10; F2; F7; F9; GGCX; NQO1; NQO2; PKM; PROC; PROS1; PROZ; RP11-196G11.1; VKORC1; VKORC1L1 Mitochondrial DNA polymerase inhibitor; Phosphatase inhibitor 4055
isonicotinohydroxamic-acid HA1E trt_cp down -0.3102659 0.0002002 0.0044065 -1.1704384 -94.15440 2241 0.0000000 100 100 NA NA 72967
chelidonine HA1E trt_cp down -0.3101392 0.0002002 0.0044065 -1.1699604 -75.94824 2241 -1.0253640 100 100 NA Tubulin inhibitor 10147
SA-1919877 NKDBA trt_cp down -0.3099084 0.0002002 0.0044065 -1.0397083 NA 229 -0.6966045 100 100 NA NA 54667404
estradiol-cypionate HA1E trt_cp down -0.3097423 0.0002002 0.0044065 -1.1684635 -88.79964 2241 0.0000000 100 100 ESR1 Estrogen receptor agonist 9403
chlorphenesin-carbamate HA1E trt_cp down -0.3096906 0.0002002 0.0044065 -1.1682684 -88.44266 2241 0.0000000 100 100 NA NA 2724
sulconazole HA1E trt_cp down -0.3072641 0.0002626 0.0055103 -1.1591145 -88.21954 2241 -1.1626380 100 100 NA Sterol demethylase inhibitor 65495
BRD-K48974000 HA1E trt_cp down -0.3071407 0.0002626 0.0055103 -1.1586491 -83.04328 2241 0.0000000 100 100 NA NA 1398345
vorinostat HA1E trt_cp down -0.3064451 0.0002885 0.0059500 -1.1560249 -76.97456 2241 -1.1540461 100 100 HDAC1; HDAC10; HDAC11; HDAC2; HDAC3; HDAC4; HDAC5; HDAC6; HDAC7; HDAC8; HDAC9 HDAC inhibitor 5311
BL003-049-HDAC3 HA1E trt_cp down -0.3063492 0.0002885 0.0059500 -1.1556632 -89.11200 2241 -0.9035696 100 100 NA NA NotFound
BRD-K19876534 HA1E trt_cp down -0.3047580 0.0003168 0.0064300 -1.1496608 -85.40830 2241 0.0000000 100 100 NA NA 54646516
benzyl-quinazolin-4-yl-amine HA1E trt_cp down -0.3041309 0.0003477 0.0068992 -1.1472951 -83.40027 2241 -0.9588308 100 100 EGFR EGFR inhibitor 6603129
rottlerin HA1E trt_cp down -0.3040668 0.0003477 0.0068992 -1.1470534 -80.14279 2241 -0.6342926 100 100 KCNH2; TGM2 MAP kinase inhibitor; Protein kinase inhibitor 5281847
thiothixene HA1E trt_cp down -0.3032323 0.0003811 0.0074521 -1.1439052 -75.81437 2241 0.0000000 100 100 DRD1; HRH1 Dopamine receptor antagonist 6444849
L-690488 HA1E trt_cp down -0.3029151 0.0003811 0.0074521 -1.1427084 -84.78358 2241 -1.1025854 100 100 IMPA1 Inositol monophosphatase inhibitor 5132514
BRD-K26767475 HA1E trt_cp down -0.3011925 0.0004571 0.0086553 -1.1362104 -70.72735 2241 0.0215711 100 100 NA NA 44142043
SA-427604 NKDBA trt_cp down -0.3007537 0.0004571 0.0086553 -1.0089951 NA 229 -0.6760267 100 100 NA NA 44620034
SA-1920013 NKDBA trt_cp down -0.3005133 0.0004571 0.0086553 -1.0081885 NA 229 -0.9514507 100 100 NA NA 54666569
L-741742 HA1E trt_cp down -0.2994600 0.0005486 0.0100639 -1.1296746 -82.82017 2241 -0.0132013 100 100 DRD3; DRD4; SCN1A; SCN3A Dopamine receptor antagonist 133008
SR-27897 HA1E trt_cp down -0.2993846 0.0005486 0.0100639 -1.1293903 -84.91745 2241 0.0000000 100 100 CCKAR CCK receptor antagonist 122077
BRD-A06276885 HA1E trt_cp down -0.2989631 0.0005486 0.0100639 -1.1278002 -66.35431 2241 -0.0338340 100 100 NA NA 4257102
COL-3 HA1E trt_cp down -0.2979491 0.0006023 0.0108635 -1.1239751 -78.04552 2241 -1.3266836 100 100 NA NA 73707525
SA-96805 NKDBA trt_cp down -0.2963072 0.0007223 0.0126542 -0.9940778 NA 229 -0.6660321 100 100 NA NA 44497527
mebendazole HA1E trt_cp down -0.2956699 0.0007223 0.0126542 -1.1153772 -68.76394 2241 0.0000000 100 100 TUBA1A; TUBB; TUBB4B Tubulin inhibitor 4030
KF-38789 HA1E trt_cp down -0.2954949 0.0007895 0.0136402 -1.1147168 -64.16778 2241 0.0000000 100 100 SELP P-selectin inhibitor 5310849
tacedinaline HA1E trt_cp down -0.2949961 0.0007895 0.0136402 -1.1128351 -66.57742 2241 -1.2053505 100 100 HDAC1 HDAC inhibitor 2746
PHA-665752 HA1E trt_cp down -0.2925523 0.0009442 0.0156712 -1.1036162 -54.70772 2241 0.0000000 100 100 BMP2K; CAMKK1; CAMKK2; DDR1; GRK7; HIPK1; HIPK3; MAP3K19; MAP4K5; MET; SRPK1; TAOK3 c-Met inhibitor 10461815
mevastatin HA1E trt_cp down -0.2915635 0.0010317 0.0168604 -1.0998862 -66.84516 2241 -0.6060639 100 100 HMGCR HMGCR inhibitor 29922189
SA-427636 NKDBA trt_cp down -0.2912867 0.0011282 0.0180457 -0.9772344 NA 229 -0.6547470 100 100 NA NA 44616599
purvalanol-a HA1E trt_cp down -0.2899360 0.0012294 0.0193288 -1.0937466 -67.60375 2241 -1.3397013 100 100 CCND1; CCNE1; CDK1; CDK2; CDK4; CDK5; CSNK1G3; RPS6KA1; SRC CDK inhibitor; DYRK inhibitor 456214
riboflavin HA1E trt_cp down -0.2890584 0.0013421 0.0207597 -1.0904358 -80.58902 2241 0.0000000 100 100 ACP1; ACP5; ACP6; ACPP; ACPT; BLVRB; ENPP1; FLAD1; RFK; SLC52A3 Vitamin B 493570
BRD-A76641868 HA1E trt_cp down -0.2888990 0.0013421 0.0207597 -1.0898346 -65.55109 2241 -0.8070338 100 100 NA NA 663281
YM-298198 HA1E trt_cp down -0.2874928 0.0015986 0.0240087 -1.0845299 -78.89335 2241 0.0000000 100 100 GRM1 Glutamate receptor antagonist 9819432
AMG-9810 HA1E trt_cp down -0.2867823 0.0015986 0.0240087 -1.0818495 -72.73539 2241 0.0000000 100 100 TRPV1 TRPV antagonist 680502
AG-592 HA1E trt_cp down -0.2864199 0.0017460 0.0257514 -1.0804824 -66.80054 2241 -0.0277664 100 100 NA Tyrosine kinase inhibitor NotFound
proadifen HA1E trt_cp down -0.2854158 0.0019031 0.0276776 -1.0766949 -84.69433 2241 -0.0189514 100 100 NOS1 Nitric oxide synthase inhibitor 4910
forskolin NKDBA trt_cp down -0.2842595 0.0020710 0.0295577 -0.9536589 NA 229 0.0000000 100 100 ADCY1; ADCY2; ADCY4; ADCY5; ADCY6; ADCY7; GNAL; GNAS Adenylyl cyclase activator 3413
erythrosine HA1E trt_cp down -0.2840515 0.0020710 0.0295577 -1.0715479 -62.60598 2241 0.0000000 100 100 NA Coloring agent 12961638
CAM-9-027-3 HA1E trt_cp down -0.2832044 0.0022521 0.0315933 -1.0683526 -77.86702 2241 -0.9892875 100 100 NA NA 49849912
EO-1428 HA1E trt_cp down -0.2830270 0.0022521 0.0315933 -1.0676834 -51.67336 2241 0.0000000 100 100 MAPK11; MAPK14 p38 MAPK inhibitor 9801969
vinblastine HA1E trt_cp down -0.2814306 0.0026642 0.0360000 -1.0616611 -58.32218 2241 -0.0325105 100 100 ABCB1; ABCB4; ABCC2; JUN; STMN4; TUBA1A; TUBB; TUBD1; TUBE1; TUBG1 Microtubule inhibitor; Tubulin inhibitor 5667
ARP-101 HA1E trt_cp down -0.2810529 0.0026642 0.0360000 -1.0602361 -65.32798 2241 -0.7955038 100 100 NA NA 11292680
albendazole HA1E trt_cp down -0.2806278 0.0026642 0.0360000 -1.0586327 -76.88532 2241 0.0412884 100 100 CYP1A2; CYP2J2; TUBA1A; TUBB; TUBB4B Anthelmintic; Tubulin inhibitor 2082
olvanil HA1E trt_cp down -0.2794845 0.0031381 0.0409008 -1.0543197 -54.70772 2241 0.0000000 100 100 CNR1; GPR119; TRPV1 TRPV agonist 5808649
penitrem-a HA1E trt_cp down -0.2778888 0.0034056 0.0436193 -1.0483000 -50.95939 2241 0.0000000 100 100 KCNMA1 Potassium channel blocker 4732
T-98475 HA1E trt_cp down -0.2770120 0.0036926 0.0464162 -1.0449924 -64.61401 2241 -1.0486581 100 100 GNRH1; GNRHR Gonadotropin releasing factor hormone receptor antagonist 9874838
BRD-K69304050 HA1E trt_cp down -0.2768755 0.0036926 0.0464162 -1.0444775 -70.95047 2241 -0.0115978 100 100 NA NA 25243777
ISOX HA1E trt_cp down -0.2766693 0.0036926 0.0464162 -1.0436996 -80.09817 2241 -0.9542200 100 100 HDAC6 HDAC inhibitor 24951314
BAY-59-3074 HA1E trt_cp down -0.2763870 0.0040006 0.0495024 -1.0426348 -78.62561 2241 0.0000000 100 100 CNR1; CNR2 Cannabinoid receptor partial agonist 10479060
BRD-K83194053 HA1E trt_cp down -0.2759392 0.0040006 0.0495024 -1.0409456 -69.92414 2241 -0.9487050 100 100 NA NA 23631972
L-168049 HA1E trt_cp down -0.2752765 0.0043300 0.0526425 -1.0384455 -79.56270 2241 -1.0428034 100 100 GCGR Glucagon receptor antagonist 5311276
cyclosporin-a HA1E trt_cp down -0.2750893 0.0043300 0.0526425 -1.0377395 -51.98572 2241 -0.0415096 100 100 ABCB11; CAMLG; CYP3A5; CYP3A7; FPR1; PPIA; PPID; PPIF; PPP3CA; PPP3R2; SLC10A1; SLCO1B1; SLCO1B3 Calcineurin inhibitor 16404350
BRD-K26510616 HA1E trt_cp down -0.2750416 0.0043300 0.0526425 -1.0375592 -61.44578 2241 -0.9292991 100 100 NA NA NotFound
BRD-K87657228 HA1E trt_cp down -0.2746279 0.0043300 0.0526425 -1.0359986 -80.41053 2241 0.0000000 100 100 NA NA 44229067
tetrindole HA1E trt_cp down -0.2742268 0.0046813 0.0558790 -1.0344857 -61.98126 2241 -1.0377718 100 100 MAOA Monoamine oxidase inhibitor 160019
DR-2313 HA1E trt_cp down -0.2729007 0.0050660 0.0594066 -1.0294830 -75.23427 2241 -0.8342344 100 100 PARP1; PARP3 PARP inhibitor 135522417
clebopride HA1E trt_cp down -0.2728233 0.0050660 0.0594066 -1.0291912 -59.70549 2241 -0.0138308 100 100 ACHE Dopamine receptor antagonist 2780
tyrphostin-AG-556 HA1E trt_cp down -0.2709493 0.0059111 0.0668922 -1.0221216 -61.80277 2241 -0.9562694 100 100 EGFR EGFR inhibitor 2059
cetirizine HA1E trt_cp down -0.2702056 0.0063767 0.0711105 -1.0193163 -61.17805 2241 0.0000000 100 100 HRH1; IL8 Histamine receptor antagonist 2678
SA-1921617 NKDBA trt_cp down -0.2699104 0.0063767 0.0711105 -0.9055195 NA 229 -0.5547265 100 100 NA NA 54666572
methylergometrine HA1E trt_cp down -0.2693469 0.0068820 0.0756626 -1.0160769 -75.50201 2241 0.0000000 100 100 DRD1; HTR1E; HTR1F; HTR2B Dopamine receptor antagonist; Serotonin receptor antagonist 4140
GW-4064 HA1E trt_cp down -0.2681983 0.0074167 0.0800665 -1.0117437 -76.57296 2241 -0.3589385 100 100 NR1H4 FXR agonist 9893571
SA-1456195 NKDBA trt_cp down -0.2676031 0.0074167 0.0800665 -0.8977785 NA 229 -0.6015116 100 100 NA NA 54657953
Y-27152 HA1E trt_cp down -0.2675943 0.0074167 0.0800665 -1.0094655 -67.64837 2241 0.0000000 100 100 ABCC9; KCNJ8 Potassium channel activator 6918184
BRD-K27484191 HA1E trt_cp down -0.2672655 0.0079852 0.0848084 -1.0082249 -49.48684 2241 -0.9251068 100 100 NA NA 663290
BRD-A89208012 HA1E trt_cp down -0.2671306 0.0079852 0.0848084 -1.0077163 -56.49264 2241 0.0000000 100 100 NA NA 6071382
fisetinidol HA1E trt_cp down -0.2668382 0.0079852 0.0848084 -1.0066129 -59.08077 2241 0.8752271 100 100 NA NA 442397
SB-216763 HA1E trt_cp down -0.2665512 0.0079852 0.0848084 -1.0055303 -66.71129 2241 0.0000000 100 100 CDK2; GSK3A; GSK3B Glycogen synthase kinase inhibitor 176158
BRD-K71835137 HA1E trt_cp down -0.2655382 0.0085974 0.0897549 -1.0017092 -78.22401 2241 0.0000000 100 100 NA NA 2778741
caffeic-acid HA1E trt_cp down -0.2653326 0.0092511 0.0950465 -1.0009335 -53.14592 2241 -0.8298760 100 100 ALOX5; MIF; RELA; TNF HIV integrase inhibitor; Lipoxygenase inhibitor; NFkB pathway inhibitor; Nitric oxide production inhibitor; PPAR receptor modulator; TNF production inhibitor; Tumor necrosis factor production inhibitor 689043
SA-247636 NKDBA trt_cp down -0.2645311 0.0092511 0.0950465 -0.8874723 NA 229 -0.9372323 100 100 NA NA 44507299
SA-432137 NKDBA trt_cp down -0.2633922 0.0106731 0.1062589 -0.8836516 NA 229 -0.5920466 100 100 NA NA 44491516
KUC111774N HA1E trt_cp down -0.2632298 0.0106731 0.1062589 -0.9930010 -51.85185 2241 -1.3505880 100 100 NA NA 12387471
BRD-K13842623 HA1E trt_cp down -0.2621773 0.0114617 0.1122384 -0.9890304 -63.36457 2241 0.0000000 100 100 NA NA 44142063
clomipramine HA1E trt_cp down -0.2619458 0.0114617 0.1122384 -0.9881573 -65.10486 2241 0.0000000 100 100 HTR2B; SLC6A2; SLC6A3; SLC6A4 Serotonin transporter inhibitor (SERT) 2801
SA-1462246 NKDBA trt_cp down -0.2616138 0.0114617 0.1122384 -0.8776851 NA 229 -0.5880490 100 100 NA NA 54655268
BRD-A47832959 NKDBA trt_cp down -0.2611373 0.0122900 0.1187304 -0.8760867 NA 229 0.0000000 100 100 NA NA 3913264
fenbendazole HA1E trt_cp down -0.2607343 0.0122900 0.1187304 -0.9835867 -37.17091 2241 0.0000000 100 100 CYP2D6; CYP2J2; CYP3A4; TUBB Tubulin inhibitor 3334
BMY-7378 HA1E trt_cp down -0.2606407 0.0122900 0.1187304 -0.9832339 -66.48817 2241 0.0000000 100 100 ADRA1A; ADRA1B; ADRA1D Adrenergic receptor antagonist; Serotonin receptor antagonist 2419
7b-cis HA1E trt_cp down -0.2600078 0.0131762 0.1257322 -0.9808461 -60.37483 2241 -1.2948475 100 100 XPO1 Exportin antagonist 44589607
piperine HA1E trt_cp down -0.2578575 0.0150962 0.1397300 -0.9727345 -70.68273 2241 0.7799259 100 100 MAOA; MAOB; NR1I2; TRPV1 Monoamine oxidase inhibitor 638024
apicidin HA1E trt_cp down -0.2566722 0.0161437 0.1471146 -0.9682633 -65.23873 2241 -1.1257948 100 100 HDAC1; HDAC10; HDAC11; HDAC2; HDAC3; HDAC4; HDAC5; HDAC6; HDAC7; HDAC8; HDAC9 HDAC inhibitor 467801
triflupromazine HA1E trt_cp down -0.2554075 0.0184416 0.1631691 -0.9634924 -49.93307 2241 0.0000000 100 100 CHRM1; CHRNA7; DRD1; HTR2B Dopamine receptor antagonist 5568
purvalanol-b HA1E trt_cp down -0.2541925 0.0196884 0.1719174 -0.9589089 -60.82106 2241 -0.0141860 100 100 CDK2; CDK4; CDK5; MAPK3; SRPK2 Tyrosine kinase inhibitor 448991
MBCQ HA1E trt_cp down -0.2536033 0.0196884 0.1719174 -0.9566863 -58.76841 2241 -0.0167911 100 100 PDE5A Phosphodiesterase inhibitor 6610310
tebuthiuron HA1E trt_cp down -0.2535454 0.0196884 0.1719174 -0.9564677 -68.54083 2241 0.0000000 100 100 NA Photosynthesis inhibitor 5383
thiostrepton NKDBA trt_cp down -0.2535173 0.0196884 0.1719174 -0.8505225 NA 229 -0.8902413 100 100 FOXM1 FOXM1 inhibitor; Protein synthesis inhibitor 16129995
arvanil HA1E trt_cp down -0.2534209 0.0210094 0.1812819 -0.9559979 -57.02811 2241 0.0000000 100 100 CNR1; TRPV1 TRPV agonist 6449767
resorcinol HA1E trt_cp down -0.2526314 0.0210094 0.1812819 -0.9530198 -69.03168 2241 0.0000000 100 100 CA12; CA14; INS-IGF2; PNMT; TPO Phosphodiesterase inhibitor 5054
selinidin HA1E trt_cp down -0.2510760 0.0238390 0.1999174 -0.9471521 -59.97323 2241 -0.0094715 100 100 NA Mast cell stabilizer 668081
BRD-K98025142 HA1E trt_cp down -0.2507004 0.0238390 0.1999174 -0.9457354 -75.10040 2241 -0.0137240 100 100 NA NA 701237
promazine HA1E trt_cp down -0.2498018 0.0253670 0.2103134 -0.9423453 -54.43998 2241 -0.2900703 100 100 ADRA1A; ADRA1B; ADRA1D; CHRM1; CHRM4; CHRM5; DRD1; DRD3; DRD4; HRH1; PRNP Dopamine receptor antagonist 4926
O-2050 HA1E trt_cp down -0.2494279 0.0269838 0.2205745 -0.9409350 -50.06693 2241 -0.6937165 100 100 CNR1 Cannabinoid receptor antagonist 16102146
fillalbin HA1E trt_cp down -0.2491882 0.0269838 0.2205745 -0.9400307 -72.60152 2241 0.0000000 100 100 NA Increases arterial blood pressure 933171
niclosamide NKDBA trt_cp down -0.2490941 0.0269838 0.2205745 -0.8356831 NA 229 -1.1260467 100 100 STAT3 DNA replication inhibitor; STAT inhibitor 4477
YK-4279 HA1E trt_cp down -0.2488187 0.0269838 0.2205745 -0.9386369 -61.98126 2241 0.7670139 100 100 DHX9; EWSR1; FLI1 Apoptosis stimulant; EWS-FLI1 inhibitor 44632017
BRD-K87964538 HA1E trt_cp down -0.2486433 0.0269838 0.2205745 -0.9379750 -66.57742 2241 -0.0187595 100 100 NA NA 665518
BML-190 HA1E trt_cp down -0.2486152 0.0269838 0.2205745 -0.9378691 -68.98706 2241 0.0000000 100 100 CNR2 Cannabinoid receptor inverse agonist 2415
tolmetin HA1E trt_cp down -0.2483960 0.0286771 0.2311270 -0.9370421 -69.79027 2241 -0.0280292 100 100 NA Cyclooxygenase inhibitor 5509
H-9 HA1E trt_cp down -0.2483151 0.0286771 0.2311270 -0.9367369 -40.47300 2241 0.0000000 100 100 PRKACA PKA inhibitor 24113957
tubastatin-a HA1E trt_cp down -0.2482031 0.0286771 0.2311270 -0.9363145 -64.39090 2241 -0.8942657 100 100 HDAC6 HDAC inhibitor 49850262
hippeastrine HA1E trt_cp down -0.2481514 0.0286771 0.2311270 -0.9361197 -56.62651 2241 0.0000000 100 100 NA Plant alkaloid 441594
RS-39604 HA1E trt_cp down -0.2479079 0.0286771 0.2311270 -0.9352010 -46.22936 2241 0.0000000 100 100 HTR4 Serotonin receptor antagonist 5145950
rizatriptan HA1E trt_cp down -0.2477580 0.0286771 0.2311270 -0.9346354 -55.82329 2241 0.0000000 100 100 HTR1B; HTR1D; HTR1E; HTR1F Serotonin receptor agonist 5078
tipifarnib HA1E trt_cp down -0.2477568 0.0286771 0.2311270 -0.9346309 -73.89558 2241 0.0000000 100 100 CHURC1-FNTB; FNTA; FNTB; RP11-598P20.5 Farnesyltransferase inhibitor 9935249
BRD-K27630941 HA1E trt_cp down -0.2473549 0.0304564 0.2416111 -0.9331146 -62.78447 2241 -0.0163196 100 100 NA NA 24747182
SKF-81297 HA1E trt_cp down -0.2471332 0.0304564 0.2416111 -0.9322786 -61.04418 2241 0.0000000 100 100 DRD1 Dopamine receptor agonist 11957706
SA-1462678 NKDBA trt_cp down -0.2470007 0.0304564 0.2416111 -0.8286598 NA 229 -0.5552021 100 100 NA NA 54657141
SA-1919875 NKDBA trt_cp down -0.2469017 0.0304564 0.2416111 -0.8283276 NA 229 -0.5549795 100 100 NA NA 54666573
metixene HA1E trt_cp down -0.2464748 0.0323254 0.2523861 -0.9297949 -67.73762 2241 -0.0181718 100 100 CHRM1; CHRM4; CHRM5 Acetylcholine receptor antagonist 4167
BRD-K61627029 HA1E trt_cp down -0.2461753 0.0323254 0.2523861 -0.9286648 -73.04775 2241 0.0000000 100 100 NA NA 1248117
ricinine HA1E trt_cp down -0.2453324 0.0342699 0.2642023 -0.9254850 -55.60018 2241 0.0000000 100 100 NA Casein kinase inhibitor 10666
chlorprothixene HA1E trt_cp down -0.2445685 0.0342699 0.2642023 -0.9226035 -42.92726 2241 -0.8706104 100 100 CHRM1; CHRM4; CHRM5; DRD1; DRD3; HRH1; HTR2B Dopamine receptor antagonist 667467
BRD-A24054354 HA1E trt_cp down -0.2439971 0.0363066 0.2758320 -0.9204480 -53.14592 2241 0.0000000 100 100 NA NA 3516032
ABT-737 HA1E trt_cp down -0.2437942 0.0363066 0.2758320 -0.9196826 -55.42169 2241 0.0000000 100 100 BAD; BCL2; BCL2L1; BCL2L2 BCL inhibitor 11228183
RS-79948 HA1E trt_cp down -0.2437146 0.0363066 0.2758320 -0.9193822 -68.63008 2241 0.0000000 100 100 NA Adrenergic receptor antagonist 9908992
tacrolimus HA1E trt_cp down -0.2435634 0.0363066 0.2758320 -0.9188118 -48.63900 2241 0.0000000 100 100 ABCB1; ABCG2; CYP3A5; CYP3A7; FKBP1A; FKBP2; FKBP4; IFNG; IL10; IL2; IL2RA; IL4; NFATC1; NFATC2; NFATC3; PPP3CA; PPP3CB; PPP3CC; PPP3R1; PPP3R2 Calcineurin inhibitor 24140138
BRD-K40224283 HA1E trt_cp down -0.2432769 0.0384309 0.2883949 -0.9177310 -53.54752 2241 0.0000000 100 100 NA NA 1409759
papaverine HA1E trt_cp down -0.2428787 0.0384309 0.2883949 -0.9162289 -61.26729 2241 -0.0274869 100 100 PDE10A; PDE4B; PDE5A Phosphodiesterase inhibitor 6084
BRD-K78883024 HA1E trt_cp down -0.2428212 0.0384309 0.2883949 -0.9160119 -69.79027 2241 -0.0183202 100 100 NA NA 56643192
oxibendazole HA1E trt_cp down -0.2427662 0.0384309 0.2883949 -0.9158045 -51.18251 2241 0.0000000 100 100 TUBB; TUBB4B Tubulin inhibitor 4622
BRD-K10436544 HA1E trt_cp down -0.2417452 0.0406627 0.3008205 -0.9119528 -54.26149 2241 0.0000000 100 100 NA NA NotFound
JAS07-008 HA1E trt_cp down -0.2417394 0.0406627 0.3008205 -0.9119312 -57.78670 2241 0.0000000 100 100 NA NA 24747183
PQ-401 HA1E trt_cp down -0.2397405 0.0454073 0.3144514 -0.9043905 -33.28871 2241 -1.1482777 100 100 IGF1R IGF-1 inhibitor; IGF-1R inhibitor 9549305
thioridazine HA1E trt_cp down -0.2396659 0.0454073 0.3144514 -0.9041091 -51.67336 2241 -0.9927762 100 100 ADRA1A; ADRA1B; CHRNA7; DRD1; HRH1; HTR1E; HTR6; HTR7; KCNH2; MALT1 Dopamine receptor antagonist 5452
ICI-118551 HA1E trt_cp down -0.2392703 0.0479389 0.3144514 -0.9026168 -61.57965 2241 -0.8132962 100 100 NA Adrenergic receptor antagonist 5484725
eliprodil HA1E trt_cp down -0.2387250 0.0479389 0.3144514 -0.9005597 -64.92637 2241 -0.7759980 100 100 GRIN1; GRIN2B Glutamate receptor antagonist 60703
LY-165163 HA1E trt_cp down -0.2386274 0.0479389 0.3144514 -0.9001914 -42.61490 2241 0.0000000 100 100 HTR1D Serotonin receptor antagonist 121930
butein HA1E trt_cp down -0.2373422 0.0532625 0.3144514 -0.8953432 -46.27398 2241 -0.0260836 100 100 ACE; CXCL8; IL6; SIRT1; SRD5A1; SRD5A2; TNF EGFR inhibitor; SRC inhibitor 5281222
ZD-7114 HA1E trt_cp down -0.2366116 0.0532625 0.3144514 -0.8925870 -56.26952 2241 0.0000000 100 100 ADRB3 Adrenergic receptor agonist 121877
fludroxycortide HA1E trt_cp down -0.2356176 0.0560729 0.3144514 -0.8888372 -54.21687 2241 -0.5759733 100 100 NR3C1; SERPINA6 Glucocorticoid receptor agonist 5702172
CFM-1571 HA1E trt_cp down -0.2345798 0.0589969 0.3144514 -0.8849225 -53.94913 2241 -0.0265477 100 100 NA Guanylate cyclase activator 9844347
flavokavain-b HA1E trt_cp down -0.2336046 0.0620255 0.3144514 -0.8812437 -46.05087 2241 -0.7630947 100 100 HIF1A Antineoplastic 5356121
SA-89705 NKDBA trt_cp down -0.2334192 0.0651636 0.3144514 -0.7830955 NA 229 -0.8207299 100 100 NA NA 44487334
MDL-11939 HA1E trt_cp down -0.2332323 0.0651636 0.3144514 -0.8798392 -50.29005 2241 -0.0175968 100 100 HTR2B Serotonin receptor antagonist 71781
GBR-13069 HA1E trt_cp down -0.2326045 0.0651636 0.3144514 -0.8774709 -46.27398 2241 -0.0229776 100 100 SLC6A3 Dopamine uptake inhibitor 5974189
KU-0060648 HA1E trt_cp down -0.2324093 0.0684082 0.3144514 -0.8767343 -47.52343 2241 -1.1040864 100 100 PIK3CA; PIK3CB; PIK3CD; PIK3CG; PRKDC DNA dependent protein kinase inhibitor; PI3K inhibitor 11964036
SB-408124 HA1E trt_cp down -0.2320268 0.0684082 0.3144514 -0.8752916 -40.69612 2241 0.0000000 100 100 HCRTR1; HCRTR2 Orexin receptor antagonist 4331799
BRD-K42867405 HA1E trt_cp down -0.2315096 0.0684082 0.3144514 -0.8733404 -50.82552 2241 -0.0174668 100 100 NA NA 2482839
PSH-024 HA1E trt_cp down -0.2310585 0.0717490 0.3144514 -0.8716388 -60.77644 2241 -0.6502514 100 100 NA NA 24747169
picotamide HA1E trt_cp down -0.2309994 0.0717490 0.3144514 -0.8714159 -46.36323 2241 0.0000000 100 100 PPBP; TBXA2R; TBXAS1 Thromboxane receptor antagonist; Thromboxane synthase inhibitor 4814
imipramine HA1E trt_cp down -0.2306474 0.0717490 0.3144514 -0.8700881 -53.45828 2241 0.0000000 100 100 ADRA1A; ADRA1B; ADRA1D; CHRM1; CHRM4; CHRM5; DRD1; FMO1; HRH1; HTR6; HTR7; KCND2; KCND3; KCNH1; KCNH2; ORM2; SLC22A3; SLC6A2; SLC6A3; SLC6A4 Norepinephrine reuptake inhibitor; Serotonin reuptake inhibitor 3696
methotrexate HA1E trt_cp down -0.2301697 0.0751866 0.3144514 -0.8682858 -47.70192 2241 -0.9636239 100 100 ABCB1; ABCC2; ABCC3; ABCC4; ABCG2; AOX1; CRP; DHFR; FOLR1; FOLR2; FPGS; GGH; PDF; SLC19A1; SLC22A6; TYMS Dihydrofolate reductase inhibitor 4112
BRD-K18761689 HA1E trt_cp down -0.2290544 0.0787550 0.3144514 -0.8640785 -45.33690 2241 -0.0172816 100 100 NA NA 24747340
brazilin HA1E trt_cp down -0.2288900 0.0787550 0.3144514 -0.8634583 -46.27398 2241 0.0000000 100 100 NA Nitric oxide production inhibitor 73384
bendroflumethiazide HA1E trt_cp down -0.2285871 0.0787550 0.3144514 -0.8623158 -52.65506 2241 0.0000000 100 100 CA1; CA4; KCNMA1; SLC12A1; SLC12A3 Sodium/potassium/chloride transporter inhibitor 2315
ZK-93423 HA1E trt_cp down -0.2285497 0.0787550 0.3144514 -0.8621746 -58.81303 2241 0.0000000 100 100 GABRA2; GABRA3; GABRA5; GABRB2; GABRG2 Benzodiazepine receptor agonist 121926
tyrphostin-B44 HA1E trt_cp down -0.2268849 0.0861386 0.3144514 -0.8558942 -47.34494 2241 0.8716020 100 100 NA EGFR inhibitor 23919058
robustic-acid HA1E trt_cp down -0.2265182 0.0861386 0.3144514 -0.8545111 -56.09103 2241 -0.0085451 100 100 NA cAMP inhibitor 54677407
SA-90030 NKDBA trt_cp down -0.2264391 0.0899926 0.3144514 -0.7596781 NA 229 -0.7921897 100 100 NA NA 44484225
BRD-A56831909 HA1E trt_cp down -0.2248404 0.0939448 0.3144514 -0.8481817 -50.29005 2241 -0.0140149 100 100 NA NA 44142078
AZD-8055 HA1E trt_cp down -0.2246943 0.0939448 0.3144514 -0.8476305 -48.50513 2241 -1.0740986 100 100 MTOR MTOR inhibitor 25262965
GW-6471 HA1E trt_cp down -0.2242934 0.0979693 0.3144514 -0.8461181 -49.39759 2241 0.0000000 100 100 PPARA PPAR receptor antagonist 44634742
CDC HA1E trt_cp down -0.2240310 0.0979693 0.3144514 -0.8451285 -47.12182 2241 0.0000000 100 100 ALOX12; ALOX5 Lipoxygenase inhibitor 14840979
INCA-6 HA1E trt_cp down -0.2240254 0.0979693 0.3144514 -0.8451071 -45.82776 2241 0.0000000 100 100 NFATC1 Calcineurin inhibitor 230748
CPCCOEt HA1E trt_cp down -0.2237090 0.0979693 0.3144514 -0.8439135 -60.91031 2241 0.0000000 100 100 GRM1 Glutamate receptor antagonist 6278000
BRD-K21640605 HA1E trt_cp down -0.2235853 0.0979693 0.3144514 -0.8434472 -48.72825 2241 0.0000000 100 100 NA NA 665093
hypericin HA1E trt_cp down -0.2235689 0.0979693 0.3144514 -0.8433851 -62.73985 2241 -0.7785518 100 100 GSTA1 Tyrosine kinase inhibitor 3663
BRD-K83589469 HA1E trt_cp down -0.2234830 0.1020951 0.3144514 -0.8430611 -56.67113 2241 0.0000000 100 100 NA NA 20969430
nicotine HA1E trt_cp down -0.2231750 0.1020951 0.3144514 -0.8418992 -52.52120 2241 -0.0168380 100 100 AOX1; CHAT; CHRNA1; CHRNA10; CHRNA2; CHRNA3; CHRNA4; CHRNA5; CHRNA6; CHRNA7; CHRNA9; CHRNB2; CHRNB3; CHRNB4; CHRND; CHRNE; CYP19A1; CYP2A6; CYP2B6; CYP2E1; CYP2U1; FMO1; FMO2; FMO3; FMO4; FMO5; FMO6P; FOS; INMT; PNMT; TBXAS1; TH; TRPA1; UGT1A4; UGT2B10; UGT2B11 Acetylcholine receptor agonist 89594
rimcazole HA1E trt_cp down -0.2229271 0.1020951 0.3144514 -0.8409640 -44.89067 2241 0.0000000 100 100 SIGMAR1 Sigma receptor antagonist 5072
SA-97259 NKDBA trt_cp down -0.2227567 0.1020951 0.3144514 -0.7473240 NA 229 0.0000000 100 100 NA NA 44500706
lovastatin HA1E trt_cp down -0.2225446 0.1020951 0.3144514 -0.8395210 -34.27041 2241 0.0000000 100 100 APOA1; APOB; CYP2C9; CYP3A5; HDAC2; HMGCR; ITGAL; LDLR; LMNA; NR1I2; RAF1; RASD1; RHOA; RHOB HMGCR inhibitor 3565209
BRD-K63181962 HA1E trt_cp down -0.2224817 0.1063172 0.3144514 -0.8392837 -52.20884 2241 -0.7756770 100 100 NA NA 44142057
parachlorophenol HA1E trt_cp down -0.2220422 0.1063172 0.3144514 -0.8376257 -45.20303 2241 0.0000000 100 100 SCN4A Anti-infective 4684
BRD-K37061750 HA1E trt_cp down -0.2219437 0.1063172 0.3144514 -0.8372544 -60.59795 2241 0.0000000 100 100 NA NA 3538139
hexylresorcinol HA1E trt_cp down -0.2218969 0.1063172 0.3144514 -0.8370777 -55.91254 2241 -0.0167416 100 100 TGM2; TOP1; TYR Local anesthetic 3610
BRD-A98200599 HA1E trt_cp down -0.2215234 0.1063172 0.3144514 -0.8356687 -44.26595 2241 0.0000000 100 100 NA NA 570188
BRD-K70415218 HA1E trt_cp down -0.2212241 0.1106222 0.3144514 -0.8345397 -43.86435 2241 0.0000000 100 100 NA NA 24747177
BRD-K40577058 HA1E trt_cp down -0.2210027 0.1106222 0.3144514 -0.8337044 -49.44221 2241 0.0000000 100 100 NA NA 44142084
BMY-45778 HA1E trt_cp down -0.2207504 0.1106222 0.3144514 -0.8327528 -40.24989 2241 -0.6977511 100 100 PTGIR IP1 prostacyclin receptor agonist 127861
flumetasone HA1E trt_cp down -0.2199137 0.1150293 0.3144514 -0.8295965 -50.55779 2241 0.0000000 100 100 NR3C1; PLA2G1B Glucocorticoid receptor agonist 5702178
cabergoline HA1E trt_cp down -0.2191880 0.1195050 0.3144514 -0.8268586 -29.45114 2241 0.0000000 100 100 ADRA1A; ADRA1B; ADRA1D; ADRA2B; ADRA2C; ADRB1; ADRB2; DRD1; DRD3; DRD4; HTR1B; HTR1D; HTR2B; HTR7; PRL Dopamine receptor agonist 54746
GW-5074 HA1E trt_cp down -0.2184294 0.1240573 0.3144514 -0.8239969 -39.22356 2241 0.0000000 100 100 LRRK1; LRRK2; NTRK1; RAF1 Leucine rich repeat kinase inhibitor; RAF inhibitor 5924208
mibefradil HA1E trt_cp down -0.2183963 0.1240573 0.3144514 -0.8238722 -39.17894 2241 -1.1823910 100 100 ANO1; CACNA1C; CACNA1D; CACNA1F; CACNA1G; CACNA1H; CACNA1I; CACNA1S; CACNB1; CACNB2; CACNB3; CACNB4; CATSPER1; CATSPER2; CATSPER3; CATSPER4; CYP3A5; CYP3A7; SCN2A; SCN4A; SCN5A; SCN9A T-type calcium channel blocker 5230270
SA-1921085 NKDBA trt_cp down -0.2178951 0.1240573 0.3144514 -0.7310139 NA 229 -0.5043996 100 100 NA NA 54666595
FK-888 HA1E trt_cp down -0.2178366 0.1240573 0.3144514 -0.8217608 -43.19500 2241 0.0000000 100 100 TACR1; TACR2 Tachykinin antagonist 107967
SA-440772 NKDBA trt_cp down -0.2177178 0.1240573 0.3144514 -0.7304191 NA 229 -0.4893808 100 100 NA NA 44495084
BRD-A74983348 HA1E trt_cp down -0.2171893 0.1286736 0.3144514 -0.8193190 -59.61624 2241 -0.0155669 100 100 NA NA 24747150
BRD-K25522720 HA1E trt_cp down -0.2167114 0.1286736 0.3144514 -0.8175162 -40.82999 2241 0.0000000 100 100 NA NA 1400698
ML-9 HA1E trt_cp down -0.2165048 0.1286736 0.3144514 -0.8167368 -45.47077 2241 -0.8172525 100 100 MLCK; PKA; PKC; TRPC6 Myosin light chain kinase inhibitor 108047
zolmitriptan HA1E trt_cp down -0.2162126 0.1333588 0.3144514 -0.8156344 -40.56225 2241 0.0000000 100 100 HTR1B; HTR1D; HTR1E; HTR1F Serotonin receptor agonist 60857
SB-222200 HA1E trt_cp down -0.2161786 0.1333588 0.3144514 -0.8155060 -48.50513 2241 0.0000000 100 100 TACR3 Tachykinin antagonist 6604009
sildenafil HA1E trt_cp down -0.2159779 0.1333588 0.3144514 -0.8147491 -45.06917 2241 0.0000000 100 100 C1S; PDE11A; PDE5A; PDE6C; PDE6G; PDE6H; SLCO1B1; SLCO1B3 Phosphodiesterase inhibitor 5212
NSC-119889 HA1E trt_cp down -0.2152674 0.1381184 0.3144514 -0.8120688 -54.75234 2241 -0.7568279 100 100 NA Protein synthesis inhibitor 274104
BRD-K00863322 HA1E trt_cp down -0.2145229 0.1381184 0.3144514 -0.8092601 -51.89647 2241 0.0000000 100 100 NA NA 4675130
nitrendipine HA1E trt_cp down -0.2140744 0.1429115 0.3144514 -0.8075682 -45.82776 2241 0.0000000 100 100 CACNA1C; CACNA1D; CACNA1H; CACNA1S; CACNA2D1; CACNA2D2; CACNB2; CACNG1; KCNN4 Calcium channel blocker 4507
scopolamine HA1E trt_cp down -0.2136672 0.1429115 0.3144514 -0.8060322 -51.27175 2241 0.0000000 100 100 CHRM1; CHRM4; CHRM5; CHRNA4; CHRNB2; RELA; SI Acetylcholine receptor antagonist 2837667
norethindrone HA1E trt_cp down -0.2133308 0.1477536 0.3144514 -0.8047634 -44.22133 2241 -0.0160953 100 100 PGR Progesterone receptor agonist; Progestogen hormone 6230
SA-96816 NKDBA trt_cp down -0.2130009 0.1477536 0.3144514 -0.7145943 NA 229 -0.4787782 100 100 NA NA 44494782
tyrphostin-AG-18 HA1E trt_cp down -0.2126061 0.1477536 0.3144514 -0.8020293 -34.44891 2241 0.0000000 100 100 EGFR EGFR inhibitor; Tyrosine kinase inhibitor NotFound
rimexolone HA1E trt_cp down -0.2124681 0.1526432 0.3144514 -0.8015088 -33.55645 2241 0.0000000 100 100 NR3C1; SERPINA6 Glucocorticoid receptor agonist 73707479
diazepam HA1E trt_cp down -0.2112148 0.1575604 0.3144514 -0.7967809 -50.91477 2241 0.0000000 100 100 ABAT; ADRA1A; DBI; GABRA2; GABRA3; GABRA4; GABRA5; GABRA6; GABRB1; GABRB2; GABRB3; GABRD; GABRE; GABRG1; GABRG2; GABRG3; GABRP; GABRQ; GABRR1; GABRR2; GABRR3; TSPO Benzodiazepine receptor agonist 3016
asiatic-acid HA1E trt_cp down -0.2109957 0.1575604 0.3144514 -0.7959544 -44.80143 2241 0.0000000 100 100 PYGM Apoptosis stimulant 119034
phosphodiesterase-V-inhibitor-II HA1E trt_cp down -0.2104586 0.1625104 0.3144514 -0.7939284 -41.90094 2241 0.0000000 100 100 PDE5A Phosphodiesterase inhibitor 11003969
amisulpride HA1E trt_cp down -0.2098837 0.1625104 0.3144514 -0.7917597 -48.28202 2241 -0.0158352 100 100 DRD3; HTR7 Dopamine receptor antagonist 2159
bisindolylmaleimide HA1E trt_cp down -0.2097078 0.1625104 0.3144514 -0.7910959 -35.78759 2241 -0.9629333 100 100 CCND1; CDK4; LRRK2; PIM1; PRKCA; PRKCB; PRKCI; PRKCZ CDK inhibitor NotFound
BRD-K39345836 HA1E trt_cp down -0.2087498 0.1674784 0.3144514 -0.7874821 -40.78536 2241 -0.0157496 100 100 NA NA 2432214
hydrocortisone-phosphate HA1E trt_cp down -0.2082415 0.1724645 0.3144514 -0.7855645 -34.80589 2241 -0.0157113 100 100 NA NA 441407
nefopam HA1E trt_cp down -0.2063365 0.1824439 0.3144514 -0.7783780 -38.33110 2241 0.0000000 100 100 NA Cyclooxygenase inhibitor 155290
erythromycin-ethylsuccinate HA1E trt_cp down -0.2038791 0.1923823 0.3144514 -0.7691078 -40.42838 2241 -0.6902908 100 100 NA NA 443953
megestrol HA1E trt_cp down -0.2036536 0.1923823 0.3144514 -0.7682573 -42.03481 2241 0.0000000 100 100 PGR progesterone receptor agonist; Progesterone receptor agonist 73707408
GR-127935 HA1E trt_cp down -0.2036126 0.1923823 0.3144514 -0.7681026 -25.61357 2241 -0.7752100 100 100 HTR1B; HTR1D; HTR1E; HTR1F; HTR2B; HTR6 Serotonin receptor antagonist 107780
BRD-K75644678 HA1E trt_cp down -0.2035097 0.1923823 0.3144514 -0.7677142 -43.41812 2241 0.0000000 100 100 NA NA 23640021
BRD-K13146765 HA1E trt_cp down -0.2030006 0.1973085 0.3144514 -0.7657940 -35.51986 2241 -0.6229643 100 100 NA NA 25199536
monoethylhexylphthalate HA1E trt_cp down -0.2017552 0.2022059 0.3144514 -0.7610959 -26.77376 2241 -0.7610959 100 100 NA NA 20393
etifenin HA1E trt_cp down -0.1990506 0.2166037 0.3144514 -0.7508931 -29.18340 2241 0.0000000 100 100 NA Compound used in hepatobiliary scans of the liver 170344
pyrazolanthrone HA1E trt_cp down -0.1988263 0.2166037 0.3144514 -0.7500470 -31.41455 2241 0.0000000 100 100 LRRK2; MAPK10; MAPK8; MAPK8IP1; MAPK9; TTK JNK inhibitor 8515
azaperone HA1E trt_cp down -0.1979186 0.2213004 0.3144514 -0.7466226 -31.95002 2241 0.0000000 100 100 DRD3 Dopamine receptor antagonist 15443
dihydrosamidin HA1E trt_cp down -0.1978227 0.2213004 0.3144514 -0.7462610 -35.47523 2241 0.0000000 100 100 NA Nitric oxide production inhibitor; Phospholipase inhibitor; Platelet activating factor receptor antagonist 442128
BRD-K17203693 HA1E trt_cp down -0.1960251 0.2304177 0.3144514 -0.7394798 -42.92726 2241 -0.2588179 100 100 NA NA 44142072
ichthynone HA1E trt_cp down -0.1959190 0.2304177 0.3144514 -0.7390795 -37.92950 2241 0.0000000 100 100 NA NA 3428129
KU-C103443N HA1E trt_cp down -0.1957539 0.2304177 0.3144514 -0.7384566 -28.78179 2241 -0.6348327 100 100 NA CDC inhibitor; Rho associated kinase inhibitor 13927312
hydrastine-(1r,-9s) HA1E trt_cp down -0.1956108 0.2304177 0.3144514 -0.7379168 -33.02097 2241 0.0000000 100 100 NA NA 197834
SA-90471 NKDBA trt_cp down -0.1953920 0.2348545 0.3144514 -0.6555185 NA 229 -0.4391974 100 100 NA NA 44492894
haloperidol HA1E trt_cp down -0.1948727 0.2348545 0.3144514 -0.7351323 -41.99018 2241 -0.0147026 100 100 ADCY10; AKR1C1; APITD1-CORT; CYP3A7; DCXR; DRD1; DRD3; DRD4; FOS; GAD1; GRIN1; GRIN2B; HRH1; HTR1D; HTR2B; HTR7; KCNH1; MCHR1; PENK; SLC18A2; TH Dopamine receptor antagonist; Psychoactive drug 3559
BRD-K45355657 HA1E trt_cp down -0.1945695 0.2348545 0.3144514 -0.7339887 -26.55065 2241 0.0000000 100 100 NA NA 23648024
BRD-K39208132 HA1E trt_cp down -0.1940580 0.2391936 0.3144514 -0.7320591 -32.12851 2241 0.0196244 100 100 NA NA 963514
HTMT HA1E trt_cp down -0.1932683 0.2434283 0.3144514 -0.7290800 -43.06113 2241 -0.0145816 100 100 HRH4 Histamine receptor agonist 124846
gelsemine HA1E trt_cp down -0.1923660 0.2475593 0.3144514 -0.7256761 -35.38599 2241 0.0000000 100 100 GLRA3 Acetylcholine receptor antagonist; Glycine receptor antagonist 5390854
H-8 HA1E trt_cp down -0.1919182 0.2475593 0.3144514 -0.7239868 -32.79786 2241 0.0000000 100 100 PKIA; PRKACA PKA inhibitor 3540
BRD-K46170844 HA1E trt_cp down -0.1917366 0.2475593 0.3144514 -0.7233020 -36.54618 2241 -0.0144660 100 100 NA NA 44142118
pizotifen HA1E trt_cp down -0.1911720 0.2515630 0.3144514 -0.7211718 -31.19143 2241 0.0000000 100 100 ADRA1B; ADRA1D; ADRA2B; ADRA2C; HTR1B; HTR1D; HTR2B Serotonin receptor antagonist 27400
loperamide HA1E trt_cp down -0.1907205 0.2515630 0.3144514 -0.7194687 -29.71888 2241 0.0000000 100 100 CACNA1A; CALM1; CALM2; CALM3; CYP2B6; CYP2C8; NPR2; NR1I3; OPRD1; OPRK1; OPRM1; POMC Opioid receptor agonist 71420
BRD-K44878494 HA1E trt_cp down -0.1895764 0.2554585 0.3144514 -0.7151529 -37.12628 2241 0.0196411 100 100 NA NA 24747232
r(-)-propylnorapomorphine HA1E trt_cp down -0.1887135 0.2592165 0.3144514 -0.7118977 -32.88710 2241 0.0243481 100 100 DRD1; DRD3 Dopamine receptor agonist; TRPA1 modulator NotFound
GBR-12783 HA1E trt_cp down -0.1879716 0.2628384 0.3144514 -0.7090990 -29.94199 2241 0.0000000 100 100 NA Dopamine uptake inhibitor 5788723
SA-1480001 NKDBA trt_cp down -0.1871961 0.2663461 0.3144514 -0.6280220 NA 229 -0.4207747 100 100 NA NA 54654441
dilazep HA1E trt_cp down -0.1855036 0.2697161 0.3144514 -0.6997887 -32.35163 2241 -0.8239155 100 100 CACNA1C; SLC29A1 Adenosine reuptake inhibitor 3074
ozagrel HA1E trt_cp down -0.1848292 0.2729519 0.3144514 -0.6972447 -25.56894 2241 0.0000000 100 100 TBXAS1 Thromboxane synthase inhibitor 5282440
L-693403 HA1E trt_cp down -0.1840769 0.2760193 0.3144514 -0.6944066 -25.43507 2241 0.0000000 100 100 SIGMAR1 Sigma receptor agonist; Sigma receptor antagonist 4687238
pirlindole HA1E trt_cp down -0.1822523 0.2817278 0.3144514 -0.6875236 -36.01071 2241 0.0000000 100 100 MAOA; SLC6A2; SLC6A4 Monoamine oxidase inhibitor 68802
SR-95639A HA1E trt_cp down -0.1809623 0.2843721 0.3144514 -0.6826573 -16.95672 2241 0.0000000 100 100 CHRM1 Acetylcholine receptor agonist 195165
BRD-K23673040 HA1E trt_cp down -0.1795827 0.2868615 0.3144514 -0.6774529 -31.05756 2241 -1.1422602 100 100 NA NA 690299
rosuvastatin HA1E trt_cp down -0.1786461 0.2892208 0.3144514 -0.6739196 -26.72914 2241 0.0000000 100 100 APOB; CRP; HMGCR; SLCO1B1 HMGCR inhibitor 446157
lidoflazine HA1E trt_cp down -0.1777332 0.2914100 0.3144514 -0.6704757 -30.96832 2241 0.0000000 100 100 SCN1A; SCN3A; SLC29A1 Calcium channel blocker 3926
BRD-K30381384 HA1E trt_cp down -0.1766928 0.2934791 0.3144514 -0.6665510 -24.63186 2241 -0.0133310 100 100 NA NA 6619100
pinacidil HA1E trt_cp down -0.1736816 0.2988981 0.3144514 -0.6551915 -39.40205 2241 0.0000000 100 100 ABCC8; ABCC9; KCNJ11; KCNJ8 ATP channel activator; Potassium channel activator 4826
metergoline HA1E trt_cp down -0.1733894 0.3004404 0.3144514 -0.6540893 -30.83445 2241 0.0000000 100 100 HTR1B; HTR1D; HTR1E; HTR1F; HTR2B; HTR5A; HTR6; HTR7; SCN2A Dopamine receptor agonist; Serotonin receptor antagonist 28693
BRD-K75315865 HA1E trt_cp down -0.1723383 0.3018747 0.3144514 -0.6501244 -31.86078 2241 -0.0130025 100 100 NA NA 44825304
tetramisole HA1E trt_cp down -0.1706691 0.3031937 0.3144514 -0.6438273 -30.78983 2241 0.0000000 100 100 NA Immunostimulant 3913
CGS-15943 NKDBA trt_cp down -0.1654396 0.3089922 0.3144514 -0.5550314 NA 229 -0.9132141 100 100 ADORA1; ADORA2A; ADORA2B; ADORA3 Adenosine receptor antagonist 2690
prothionamide HA1E trt_cp down -0.1653872 0.3089922 0.3144514 -0.6239022 -27.71084 2241 0.0000000 100 100 NA Mycobacterium tuberculosis enoyl-[acyl-carrier-protein] reductase [NADH] (inhA) inhibitor 666418
profenamine HA1E trt_cp down -0.1643892 0.3096622 0.3144514 -0.6201373 -28.51406 2241 0.0131797 100 100 BCHE; CHRM1; GRIN3A Butyrylcholinesterase inhibitor; Cholinergic receptor antagonist 3290
KN-93 HA1E trt_cp down -0.1642826 0.3096622 0.3144514 -0.6197351 -27.39848 2241 -0.6286324 100 100 CAMK2A Calcium-calmodulin dependent protein kinase inhibitor 5312122
tramadol HA1E trt_cp down -0.1634093 0.3102623 0.3144514 -0.6164407 -28.64793 2241 0.0000000 100 100 CYP2B6; GRIN3A; OPRD1; OPRK1; OPRM1; SLC6A2; SLC6A4 Norepinephrine reuptake inhibitor; Opioid receptor agonist; Serotonin reuptake inhibitor 33741

GSE69556

Load in top up and down DEGs

hom_56_UP <- read.csv(here("res", "deseq2_outputs", "GSE69556_degs_UP_220421.csv"))
hom_56_DOWN <- read.csv(here("res", "deseq2_outputs", "GSE69556_degs_DOWN_220421.csv"))

Run signatureSearch, filter for kidney cell lines

gess_kidneycells_56 <- ssRun(upgenes = as.character(hom_56_UP$entrezgene_id), downgenes = as.character(hom_56_DOWN$entrezgene_id), cells = "kidney")
## 103 / 103 genes in up set share identifiers with reference database
## 100 / 100 genes in down set share identifiers with reference database

Visualize Top 20

gess_res_vis(gess_kidneycells_56, drugs = unique(gess_kidneycells_56$pert)[1:20], col = "WTCS")

knitr::kable(gess_kidneycells_56, col.names = colnames(gess_kidneycells_56))
pert cell type trend WTCS WTCS_Pval WTCS_FDR NCS Tau TauRefSize NCSct N_upset N_downset t_gn_sym MOAss PCIDss
KU-0060648 HA1E trt_cp down -0.4242836 0.0000251 0.0012156 -1.5639792 -94.86836 2241 0.0000000 103 100 PIK3CA; PIK3CB; PIK3CD; PIK3CG; PRKDC DNA dependent protein kinase inhibitor; PI3K inhibitor 11964036
thiotepa HA1E trt_cp down -0.4221439 0.0000252 0.0012156 -1.5560919 -99.50915 2241 0.0000000 103 100 CYP2B6 Cytochrome P450 inhibitor 5453
PSH-024 HA1E trt_cp down -0.4186067 0.0000253 0.0012156 -1.5430531 -98.88443 2241 -0.0173257 103 100 NA NA 24747169
phenoxybenzamine HA1E trt_cp down -0.3955998 0.0000263 0.0012156 -1.4582461 -98.30433 2241 0.0000000 103 100 ADRA1A; ADRA1B; ADRA1D; ADRA2B; ADRA2C; ADRB2; CALM1; CALM2; CALM3 Adrenergic receptor antagonist 5284441
ML-9 HA1E trt_cp down -0.3934977 0.0000264 0.0012156 -1.4504973 -98.97367 2241 0.0000000 103 100 MLCK; PKA; PKC; TRPC6 Myosin light chain kinase inhibitor 108047
methylnorlichexanthone HA1E trt_cp down -0.3904145 0.0000265 0.0012156 -1.4391320 -98.08121 2241 -0.0143913 103 100 AURKB; KDR; PIM1 Aurora kinase inhibitor; PIM inhibitor; VEGFR inhibitor 5377914
ivachtin HA1E trt_cp down -0.3902934 0.0000265 0.0012156 -1.4386858 -90.67381 2241 0.0000000 103 100 CASP3 Caspase inhibitor 11201705
SA-1472734 NKDBA trt_cp down -0.3892326 0.0000266 0.0012156 -1.5720156 NA 229 -1.0532504 103 100 NA NA 54654437
IB-MECA HA1E trt_cp down -0.3814071 0.0000269 0.0012156 -1.4059295 -97.14413 2241 0.0000000 103 100 ADORA1; ADORA2A; ADORA2B; ADORA3 Adenosine receptor agonist 3668
bendroflumethiazide HA1E trt_cp down -0.3810532 0.0000269 0.0012156 -1.4046247 -98.30433 2241 0.0000000 103 100 CA1; CA4; KCNMA1; SLC12A1; SLC12A3 Sodium/potassium/chloride transporter inhibitor 2315
AM-251 HA1E trt_cp down -0.3801979 0.0000270 0.0012156 -1.4014721 -96.87639 2241 0.0000000 103 100 CNR1; GPR18; GPR55 Cannabinoid receptor antagonist 2125
carbofuran HA1E trt_cp down -0.3774098 0.0000271 0.0012156 -1.3911945 -96.92102 2241 -0.0241251 103 100 NA Cholinesterase inhibitor 2566
NSC-23766 HA1E trt_cp down -0.3761821 0.0000272 0.0012156 -1.3866693 -98.17046 2241 0.0000000 103 100 NA Ras GTPase inhibitor 409805
MD-920 HA1E trt_cp down -0.3761174 0.0000272 0.0012156 -1.3864308 -95.35921 2241 -0.0205228 103 100 NA NA 6466
KB-R7943 HA1E trt_cp down -0.3753981 0.0000272 0.0012156 -1.3837791 -92.23561 2241 0.0000000 103 100 SLC8A1; TRPC3; TRPC5; TRPC6 Sodium/calcium exchange inhibitor 4534086
tetrahydrozoline HA1E trt_cp down -0.3750877 0.0000272 0.0012156 -1.3826349 -95.09148 2241 -0.0161708 103 100 NA NA 5419
diazepam HA1E trt_cp down -0.3749360 0.0000272 0.0012156 -1.3820757 -96.34092 2241 -0.3247843 103 100 ABAT; ADRA1A; DBI; GABRA2; GABRA3; GABRA4; GABRA5; GABRA6; GABRB1; GABRB2; GABRB3; GABRD; GABRE; GABRG1; GABRG2; GABRG3; GABRP; GABRQ; GABRR1; GABRR2; GABRR3; TSPO Benzodiazepine receptor agonist 3016
dihydrexidine HA1E trt_cp down -0.3706376 0.0000274 0.0012156 -1.3662311 -98.48282 2241 -0.8790632 103 100 DRD1; DRD3; DRD4 Dopamine receptor agonist 5311070
BRD-K49814456 HA1E trt_cp down -0.3683040 0.0000275 0.0012156 -1.3576292 -96.87639 2241 -0.0149870 103 100 NA NA 1737777
carteolol HA1E trt_cp down -0.3670381 0.0000275 0.0012156 -1.3529629 -94.02053 2241 0.0000000 103 100 ADRB1; ADRB2 Adrenergic receptor antagonist 2583
bicalutamide HA1E trt_cp down -0.3666663 0.0000275 0.0012156 -1.3515923 -93.79741 2241 -0.9591785 103 100 AR; CYP46A1; KLK3 Androgen receptor antagonist 2375
LY-344864 HA1E trt_cp down -0.3660596 0.0000276 0.0012156 -1.3493560 -96.74253 2241 0.0000000 103 100 HTR1B; HTR1D; HTR1E; HTR1F; HTR2B; HTR7 Serotonin receptor agonist 5311097
aminoglutethimide HA1E trt_cp down -0.3656273 0.0000276 0.0012156 -1.3477623 -96.65328 2241 -0.0226518 103 100 CYP11A1; CYP19A1; NR3C1 Glucocorticoid receptor antagonist 2145
etilefrine HA1E trt_cp down -0.3636021 0.0000277 0.0012156 -1.3402973 -95.58233 2241 0.0000000 103 100 ADRA1A; ADRB1 Adrenergic receptor agonist 3306
pizotifen HA1E trt_cp down -0.3627148 0.0000278 0.0012156 -1.3370266 -90.31682 2241 0.0000000 103 100 ADRA1B; ADRA1D; ADRA2B; ADRA2C; HTR1B; HTR1D; HTR2B Serotonin receptor antagonist 27400
ZM-241385 HA1E trt_cp down -0.3612981 0.0000279 0.0012156 -1.3318043 -93.48505 2241 -0.7109558 103 100 ADORA1; ADORA2A; ADORA2B; ADORA3 Adenosine receptor antagonist 176407
BRD-K42867405 HA1E trt_cp down -0.3585183 0.0000279 0.0012156 -1.3215575 -96.25167 2241 -1.1963927 103 100 NA NA 2482839
BRL-37344 HA1E trt_cp down -0.3547009 0.0000283 0.0012156 -1.3074860 -94.51138 2241 -0.0269097 103 100 ADRB1; ADRB2; ADRB3 Adrenergic receptor agonist 9841972
BRD-K87964538 HA1E trt_cp down -0.3540805 0.0000284 0.0012156 -1.3051991 -96.25167 2241 -0.0181829 103 100 NA NA 665518
raloxifene HA1E trt_cp down -0.3518824 0.0000287 0.0012156 -1.2970966 -95.76082 2241 0.0000000 103 100 ACVRL1; AOX1; BGLAP; EBP; ENG; ESR1; ESR2; PTGR1; RAC1; SERPINB9; SHBG; TFF1 Estrogen receptor antagonist; Selective estrogen receptor modulator (SERM) 5035
pifithrin-mu HA1E trt_cp down -0.3507062 0.0000289 0.0012156 -1.2927606 -87.72869 2241 0.0000000 103 100 HSPA1A; TP53 HSP inhibitor 327653
sulfafurazole HA1E trt_cp down -0.3488846 0.0000294 0.0012156 -1.2860461 -83.44489 2241 0.0000000 103 100 NA Bacterial antifolate 5344
BRD-K78716413 HA1E trt_cp down -0.3468339 0.0000299 0.0012156 -1.2784869 -93.84203 2241 0.0000000 103 100 NA NA 952391
calcipotriol HA1E trt_cp down -0.3376940 0.0000352 0.0012347 -1.2447955 -88.44266 2241 0.0000000 103 100 BGLAP; GC; VDR Vitamin D receptor agonist 5353464
ICI-204448 HA1E trt_cp down -0.3353956 0.0000391 0.0012623 -1.2363234 -77.86702 2241 -0.0247265 103 100 OPRK1 Opioid receptor agonist 3683
E-4031 HA1E trt_cp down -0.3352147 0.0000391 0.0012623 -1.2356566 -94.19902 2241 0.0000000 103 100 KCNH1; KCNH2 Potassium channel blocker 3185
UCL-2077 HA1E trt_cp down -0.3347373 0.0000391 0.0012623 -1.2338966 -88.21954 2241 -0.0275458 103 100 NA Slow after hyperpolarization channel blocker 24868317
ML-3163 HA1E trt_cp down -0.3332825 0.0000420 0.0012897 -1.2285341 -94.64525 2241 0.0000000 103 100 CYP2D6; CYP3A4; MAPK11; MAPK12; MAPK14 p38 MAPK inhibitor 23748533
RU-28318 HA1E trt_cp down -0.3324965 0.0000438 0.0013031 -1.2256369 -94.10977 2241 -0.0174377 103 100 NR3C2 Cytochrome P450 inhibitor 3034004
PETCM HA1E trt_cp down -0.3319639 0.0000438 0.0013031 -1.2236735 -90.89692 2241 0.0000000 103 100 CASP3 Caspase activator 224859
TPCA-1 HA1E trt_cp down -0.3312312 0.0000458 0.0013384 -1.2209725 -85.18519 2241 0.0000000 103 100 CDC42BPB; EPHB1; IKBKB; MAP3K9; NTRK3; NUAK1; RET; TNK2; TYK2 IKK inhibitor 9903786
JAS07-003 HA1E trt_cp down -0.3299405 0.0000480 0.0013716 -1.2162149 -91.12004 2241 -0.0227555 103 100 NA NA 24747274
ergometrine HA1E trt_cp down -0.3291657 0.0000503 0.0014119 -1.2133590 -72.11066 2241 0.0000000 103 100 ADRA1A; HTR1E Adrenergic receptor agonist; Serotonin receptor agonist 3250
BRD-K37061750 HA1E trt_cp down -0.3281776 0.0000531 0.0014509 -1.2097167 -94.91299 2241 0.0000000 103 100 NA NA 3538139
tamoxifen HA1E trt_cp down -0.3270534 0.0000560 0.0015035 -1.2055727 -82.68630 2241 0.0000000 103 100 ABCB1; ABCG2; AR; BGLAP; CCND1; CTSD; CYP2C9; CYP3A5; EBP; EBPL; ERBB2; ESR1; ESR2; ESRRG; FMO1; FMO2; FMO3; FMO4; FMO5; GPER1; IGFBP5; KCNH2; NCOR1; NCOR2; NR1I2; ODC1; PRKCA; PRKCB; PRKCE; PRKCG; PRKCI; PRKCZ; SHBG; TGFA; UGT1A4 Estrogen receptor antagonist; Selective estrogen receptor modulator (SERM) 2733526
R-96544 HA1E trt_cp down -0.3266901 0.0000560 0.0015035 -1.2042335 -83.71263 2241 0.0000000 103 100 NA Serotonin receptor antagonist 10668211
catechin HA1E trt_cp down -0.3258462 0.0000594 0.0015608 -1.2011229 -90.18295 2241 0.0000000 103 100 BACE1; CA1; CA12; CA14; CA4; CA6; CA9; FASN; SCN5A Beta secretase inhibitor; Fatty acid synthase inhibitor; LDL antioxidant 73160
nitrofural HA1E trt_cp down -0.3246671 0.0000629 0.0016127 -1.1967763 -92.28023 2241 0.0181164 103 100 NA Bacterial DNA inhibitor 5447130
BRD-K76211160 HA1E trt_cp down -0.3241409 0.0000671 0.0016769 -1.1948366 -93.12807 2241 0.0000000 103 100 NA NA 1118253
DR-2313 HA1E trt_cp down -0.3225363 0.0000720 0.0017599 -1.1889219 -90.67381 2241 0.0323535 103 100 PARP1; PARP3 PARP inhibitor 135522417
U-18666A HA1E trt_cp down -0.3187399 0.0000960 0.0021658 -1.1749277 -70.86122 2241 0.0285316 103 100 NA Oxidosqualene cyclase inhibitor 415541
L-693403 HA1E trt_cp down -0.3165147 0.0001118 0.0024085 -1.1667254 -83.35564 2241 0.0000000 103 100 SIGMAR1 Sigma receptor agonist; Sigma receptor antagonist 4687238
mepacrine HA1E trt_cp down -0.3159070 0.0001218 0.0025678 -1.1644850 -85.36368 2241 0.0000000 103 100 AKT1; MTOR; NFKB1; PLA2G1B; PLA2G2A; PLA2G2D; PLA2G4A; PLA2G6; PLCL1; TP53 Cytokine production inhibitor; NFkB pathway inhibitor; TP53 activator 237
SKI-II HA1E trt_cp down -0.3157633 0.0001218 0.0025678 -1.1639554 -76.92994 2241 0.0000000 103 100 SPHK1 NA 753704
SR-142948 HA1E trt_cp down -0.3157039 0.0001218 0.0025678 -1.1637365 -80.72289 2241 0.0000000 103 100 NTSR1 Neurotensin receptor antagonist 5311451
rosuvastatin HA1E trt_cp down -0.3156927 0.0001218 0.0025678 -1.1636950 -74.43106 2241 -0.0269258 103 100 APOB; CRP; HMGCR; SLCO1B1 HMGCR inhibitor 446157
ceramide HA1E trt_cp down -0.3155460 0.0001218 0.0025678 -1.1631543 -91.47702 2241 0.0000000 103 100 NA Phosphoenolpyruvate carboxylase activator; Serine/threonine protein phosphatase activator NotFound
fipronil HA1E trt_cp down -0.3150138 0.0001317 0.0027326 -1.1611928 -91.96787 2241 0.0000000 103 100 GABRB3 Chloride channel blocker; GABA gated chloride channel blocker 3352
nadolol HA1E trt_cp down -0.3142591 0.0001429 0.0028958 -1.1584106 -86.03302 2241 -1.0521370 103 100 ADRB1; ADRB2; ADRB3 Adrenergic receptor antagonist 39147
SC-68376 HA1E trt_cp down -0.3142110 0.0001429 0.0028958 -1.1582335 -85.67604 2241 0.0000000 103 100 MAPK14 p38 MAPK inhibitor 5174
warfarin HA1E trt_cp down -0.3125361 0.0001554 0.0030899 -1.1520593 -92.23561 2241 0.0000000 103 100 ARSE; CYP2C8; CYP2C9; CYP4F2; F3; F7; NR1I2; PROS1; RP11-196G11.1; VKORC1; VKORC1L1 Vitamin K antagonist 54678486
PKCbeta-inhibitor HA1E trt_cp down -0.3103542 0.0002002 0.0037723 -1.1440165 -75.99286 2241 0.0000000 103 100 PRKCB PKC inhibitor 6419755
CITCO HA1E trt_cp down -0.3100727 0.0002002 0.0037723 -1.1429788 -82.86479 2241 0.0000000 103 100 NR1I3 CAR agonist 9600409
moexipril HA1E trt_cp down -0.3091853 0.0002197 0.0040606 -1.1397079 -73.49398 2241 -0.9762176 103 100 ACE; ACE2 ACE inhibitor 91270
PD-123319 HA1E trt_cp down -0.3090261 0.0002197 0.0040606 -1.1391209 -89.11200 2241 0.0000000 103 100 AGTR2 Angiotensin receptor antagonist 4701
diloxanide HA1E trt_cp down -0.3082860 0.0002402 0.0043618 -1.1363929 -92.81571 2241 0.0000000 103 100 NA Protein synthesis inhibitor 11367
N20C HA1E trt_cp down -0.3078178 0.0002402 0.0043618 -1.1346669 -71.48594 2241 -0.7065854 103 100 NA NA 6603827
melperone HA1E trt_cp down -0.3062873 0.0002885 0.0050772 -1.1290254 -78.00089 2241 0.0000000 103 100 NA Dopamine receptor antagonist; Serotonin receptor antagonist 15387
ICI-118551 HA1E trt_cp down -0.3057012 0.0002885 0.0050772 -1.1268650 -84.73896 2241 0.0000000 103 100 NA Adrenergic receptor antagonist 5484725
DMeOB HA1E trt_cp down -0.3056999 0.0002885 0.0050772 -1.1268601 -72.28916 2241 0.0000000 103 100 NA NA 6891506
CHEMBL-374350 HA1E trt_cp down -0.3051800 0.0003168 0.0054728 -1.1249439 -73.89558 2241 0.0000000 103 100 NA NFkB pathway inhibitor 2858523
leucodin HA1E trt_cp down -0.3038665 0.0003477 0.0059005 -1.1201018 -86.30076 2241 -1.1226310 103 100 NA Melanin inhibitor 167683
luzindole HA1E trt_cp down -0.3037877 0.0003477 0.0059005 -1.1198115 -86.56850 2241 0.0000000 103 100 MTNR1A; MTNR1B Melatonin receptor antagonist 122162
atorvastatin HA1E trt_cp down -0.3035556 0.0003477 0.0059005 -1.1189558 -73.09237 2241 -0.6734782 103 100 AHR; APOA1; APOB; APOE; CCL2; CD40LG; CETP; CRP; CYP3A5; DPP4; FASLG; HMGCR; IL6; LDLR; LPL; MTTP; PON1; RHOA; SERPINE1; SLCO1B1; VCAM1 HMGCR inhibitor 2250
UNC-0321 HA1E trt_cp down -0.3031101 0.0003811 0.0063566 -1.1173136 -88.21954 2241 0.0000000 103 100 EHMT2 Histone lysine methyltransferase inhibitor 46901937
lawsone HA1E trt_cp down -0.3023669 0.0004167 0.0068248 -1.1145741 -80.58902 2241 0.0000000 103 100 NA Coloring agent 10125107
dihydrodeoxygedunin HA1E trt_cp down -0.3012000 0.0004571 0.0073269 -1.1102729 -74.02945 2241 0.0000000 103 100 NTRK2 Growth factor receptor activator 6708636
ZD-7114 HA1E trt_cp down -0.3010140 0.0004571 0.0073269 -1.1095871 -81.25837 2241 0.0202465 103 100 ADRB3 Adrenergic receptor agonist 121877
SC-560 HA1E trt_cp down -0.3005120 0.0004571 0.0073269 -1.1077368 -73.94021 2241 0.0000000 103 100 NA Cyclooxygenase inhibitor 4306515
tetrabenazine HA1E trt_cp down -0.3002455 0.0005021 0.0079110 -1.1067543 -83.22178 2241 0.0000000 103 100 SLC18A1; SLC18A2 Vesicular monoamine transporter inhibitor 6018
BRD-K21001652 HA1E trt_cp down -0.2989836 0.0005486 0.0085083 -1.1021026 -83.04328 2241 -0.6517460 103 100 NA NA 54636786
quercetagetin HA1E trt_cp down -0.2986488 0.0005486 0.0085083 -1.1008684 -80.05355 2241 -1.0603397 103 100 MAPK8; PIM1 PIM inhibitor 386331
U-54494A HA1E trt_cp down -0.2983401 0.0006023 0.0091565 -1.0997309 -88.71040 2241 0.0000000 103 100 NA Opioid receptor agonist 122015
MRS-1845 HA1E trt_cp down -0.2973108 0.0006601 0.0098458 -1.0959366 -84.78358 2241 0.0000000 103 100 ORAI1 Calcium channel blocker 5202074
PIT HA1E trt_cp down -0.2970664 0.0006601 0.0098458 -1.0950355 -61.26729 2241 0.0000000 103 100 P2RY1 Purinergic receptor antagonist 124334
BRD-K98297262 HA1E trt_cp down -0.2967489 0.0006601 0.0098458 -1.0938654 -82.55243 2241 0.0000000 103 100 NA NA NotFound
tyrphostin-AG-835 HA1E trt_cp down -0.2966031 0.0006601 0.0098458 -1.0933277 -65.77421 2241 -0.0294218 103 100 EGFR Protein tyrosine kinase inhibitor 5328769
WAY-213613 HA1E trt_cp down -0.2965904 0.0006601 0.0098458 -1.0932809 -76.92994 2241 0.0000000 103 100 SLC1A2 Glutamate inhibitor 24868316
BMS-641988 HA1E trt_cp down -0.2959943 0.0007223 0.0105304 -1.0910836 -79.29496 2241 -0.9916484 103 100 AR Androgen receptor antagonist 24768935
auraptene HA1E trt_cp down -0.2959305 0.0007223 0.0105304 -1.0908486 -79.47345 2241 0.0000000 103 100 MAOB Nitric oxide production inhibitor 1550607
WAY-161503 HA1E trt_cp down -0.2958205 0.0007223 0.0105304 -1.0904431 -82.19545 2241 -0.0168784 103 100 NA Serotonin receptor agonist 3906894
atovaquone HA1E trt_cp down -0.2956460 0.0007223 0.0105304 -1.0897996 -83.26640 2241 -0.0203386 103 100 DHODH Mitochondrial electron transport inhibitor 44483269
BRD-K25150581 HA1E trt_cp down -0.2955352 0.0007223 0.0105304 -1.0893914 -87.05935 2241 0.0000000 103 100 NA NA 12179987
rathyronine HA1E trt_cp down -0.2941478 0.0008647 0.0122010 -1.0842773 -85.80991 2241 -0.0108428 103 100 NA NA 861
RS-79948 HA1E trt_cp down -0.2937509 0.0008647 0.0122010 -1.0828140 -86.39000 2241 -0.0130204 103 100 NA Adrenergic receptor antagonist 9908992
SA-97378 NKDBA trt_cp down -0.2937382 0.0008647 0.0122010 -1.1863368 NA 229 -0.7948457 103 100 NA NA 44494796
tyrphostin-AG-82 HA1E trt_cp down -0.2932295 0.0009442 0.0130625 -1.0808920 -77.51004 2241 0.0000000 103 100 EGFR; LCK EGFR inhibitor NotFound
L-690488 HA1E trt_cp down -0.2929772 0.0009442 0.0130625 -1.0799622 -77.95627 2241 0.0000000 103 100 IMPA1 Inositol monophosphatase inhibitor 5132514
rhodomyrtoxin-b HA1E trt_cp down -0.2925552 0.0009442 0.0130625 -1.0784065 -58.58992 2241 0.0000000 103 100 NA sodium fluorescein uptake inhibitor 3270699
PD-98059 HA1E trt_cp down -0.2923373 0.0010317 0.0139323 -1.0776035 -77.95627 2241 0.0000000 103 100 AKT1; CHEK1; GSK3B; LCK; MAP2K1; MAP2K2; MAPK11; MAPK12; MAPK14; MAPK3; MAPK8; PRKCA; RAF1; ROCK1; RPS6KB1; SGK1 MAP kinase inhibitor; MEK inhibitor 4713
indirubin HA1E trt_cp down -0.2918104 0.0010317 0.0139323 -1.0756612 -86.61312 2241 0.0000000 103 100 AHR; CCNE1; CDK1; CDK2; CDK4; CDK5; CDK5R1; CDK9; CYP1A1; GSK3A; GSK3B; LCK; LRRK1; LRRK2 CDK inhibitor; Glycogen synthase kinase inhibitor; Leucine rich repeat kinase inhibitor; Serum/glucocorticoid regulated kinase inhibitor; SRC inhibitor 10177
SA-1472514 NKDBA trt_cp down -0.2916924 0.0010317 0.0139323 -1.1780745 NA 229 -0.7893099 103 100 NA NA 54654640
exemestane HA1E trt_cp down -0.2909888 0.0011282 0.0149929 -1.0726327 -80.41053 2241 0.0000000 103 100 CYP19A1 Aromatase inhibitor 60198
clomipramine HA1E trt_cp down -0.2901991 0.0012294 0.0160097 -1.0697214 -74.25257 2241 0.0000000 103 100 HTR2B; SLC6A2; SLC6A3; SLC6A4 Serotonin transporter inhibitor (SERT) 2801
berbamine HA1E trt_cp down -0.2883721 0.0014655 0.0185120 -1.0629870 -70.77198 2241 0.0000000 103 100 CALM1 Calmodulin antagonist 275182
SANT-1 HA1E trt_cp down -0.2869220 0.0015986 0.0198720 -1.0576416 -69.43329 2241 -0.0248059 103 100 DHH; IHH; PTCH1; SMO Smoothened receptor antagonist 6878030
anabasine HA1E trt_cp down -0.2864344 0.0017460 0.0212842 -1.0558442 -77.59929 2241 0.0000000 103 100 NA Acetylcholine receptor agonist 2181
BRD-K73143528 HA1E trt_cp down -0.2855058 0.0017460 0.0212842 -1.0524213 -83.31102 2241 -0.0181114 103 100 NA NA 2013455
BRD-K12707296 HA1E trt_cp down -0.2854074 0.0019031 0.0228001 -1.0520585 -85.05132 2241 -0.0153947 103 100 NA NA 2321431
L-745870 HA1E trt_cp down -0.2848064 0.0019031 0.0228001 -1.0498431 -80.90138 2241 0.0000000 103 100 DRD1; DRD3; DRD4; HTR6; HTR7 Dopamine receptor antagonist 5311200
naftifine HA1E trt_cp down -0.2835783 0.0020710 0.0244041 -1.0453163 -56.58188 2241 0.0000000 103 100 SQLE Fungal squalene epoxidase inhibitor 47641
BRD-K76293260 HA1E trt_cp down -0.2833918 0.0022521 0.0261693 -1.0446288 -70.28112 2241 -0.9402434 103 100 NA NA 6433346
CGS-12066B HA1E trt_cp down -0.2832601 0.0022521 0.0261693 -1.0441433 -71.84293 2241 0.0000000 103 100 HTR1B; HTR1D; HTR2B Serotonin receptor agonist 9915956
kynuramine HA1E trt_cp down -0.2830204 0.0022521 0.0261693 -1.0432599 -70.77198 2241 0.0000000 103 100 NA Aryl hydrocarbon receptor activator 4990100
fusaric-acid HA1E trt_cp down -0.2820756 0.0024484 0.0279549 -1.0397770 -72.86925 2241 0.0270647 103 100 DBH Dopamine beta hydroxylase inhibitor 3442
RS-67506 HA1E trt_cp down -0.2820016 0.0024484 0.0279549 -1.0395041 -77.19768 2241 -0.0311851 103 100 HTR4 Serotonin receptor partial agonist 133076
BRD-K28112517 HA1E trt_cp down -0.2818020 0.0024484 0.0279549 -1.0387684 -56.09103 2241 0.0000000 103 100 NA NA 976135
NAN-190 HA1E trt_cp down -0.2817153 0.0024484 0.0279549 -1.0384490 -67.29139 2241 0.0000000 103 100 ADRA1A; ADRA1B; ADRA1D; HTR1F Serotonin receptor agonist 4431
evoxine HA1E trt_cp down -0.2814521 0.0026642 0.0300456 -1.0374789 -71.44132 2241 0.0000000 103 100 NA Furoquinoline alkaloid 673465
SA-101686 NKDBA trt_cp down -0.2807751 0.0026642 0.0300456 -1.1339820 NA 229 -0.7597679 103 100 NA NA 44502203
L-655708 HA1E trt_cp down -0.2796269 0.0028932 0.0321156 -1.0307509 -81.43686 2241 -0.0206150 103 100 GABRA2; GABRA3; GABRA5; GABRG2 GABA receptor inverse agonist 5311203
fulvestrant HA1E trt_cp down -0.2791329 0.0031381 0.0342313 -1.0289297 -83.57876 2241 0.0000000 103 100 CCND1; EPHX2; ESR1; ESR2; ESRRA; GPER1; RB1 Estrogen receptor antagonist 73707501
IAA-94 HA1E trt_cp down -0.2786544 0.0031381 0.0342313 -1.0271661 -72.95850 2241 -0.7042856 103 100 NA Chloride channel blocker 656717
BML-190 HA1E trt_cp down -0.2779730 0.0034056 0.0366439 -1.0246542 -77.95627 2241 0.0000000 103 100 CNR2 Cannabinoid receptor inverse agonist 2415
fluperlapine HA1E trt_cp down -0.2773585 0.0036926 0.0390738 -1.0223890 -77.59929 2241 -0.0209325 103 100 HTR6; HTR7 Serotonin receptor antagonist 49381
SA-1460110 NKDBA trt_cp down -0.2772314 0.0036926 0.0390738 -1.1196699 NA 229 -0.7501789 103 100 NA NA 54657753
coumaric-acid HA1E trt_cp down -0.2770591 0.0036926 0.0390738 -1.0212856 -81.97233 2241 -0.0231901 103 100 NA Antioxidant NotFound
metergoline HA1E trt_cp down -0.2769892 0.0036926 0.0390738 -1.0210278 -69.92414 2241 0.3360072 103 100 HTR1B; HTR1D; HTR1E; HTR1F; HTR2B; HTR5A; HTR6; HTR7; SCN2A Dopamine receptor agonist; Serotonin receptor antagonist 28693
progesterone HA1E trt_cp down -0.2767905 0.0036926 0.0390738 -1.0202954 -69.56716 2241 0.0000000 103 100 AKR1C1; AKR1C2; AKR1D1; APOD; AR; CATSPER1; CATSPER2; CATSPER3; CATSPER4; CATSPERB; CATSPERD; CATSPERG; CGA; CYP11B1; CYP17A1; CYP21A2; ESR1; GNAI1; GNAS; GNGT1; HRAS; HSD3B1; HSD3B2; HVCN1; KCNU1; LHB; NR1I2; NR3C1; NR3C2; OPRK1; ORM1; PAQR5; PGR; SERPINA6; SHBG; SRD5A1; SRD5A3; TRPC5 Progesterone receptor agonist 5994
BRD-K44878494 HA1E trt_cp down -0.2766819 0.0036926 0.0390738 -1.0198951 -76.52834 2241 -0.0203979 103 100 NA NA 24747232
vinpocetine HA1E trt_cp down -0.2766532 0.0036926 0.0390738 -1.0197891 -76.52834 2241 0.0000000 103 100 PDE1A; PDE1C; SCN10A Phosphodiesterase inhibitor; Sodium channel blocker 5673
mephenytoin HA1E trt_cp down -0.2764339 0.0040006 0.0417087 -1.0189810 -74.65417 2241 0.0000000 103 100 NR1I2; SCN5A Hydantoin antiepileptic 4060
butein HA1E trt_cp down -0.2761250 0.0040006 0.0417087 -1.0178422 -63.67693 2241 -0.0305353 103 100 ACE; CXCL8; IL6; SIRT1; SRD5A1; SRD5A2; TNF EGFR inhibitor; SRC inhibitor 5281222
iopanoic-acid HA1E trt_cp down -0.2757124 0.0040006 0.0417087 -1.0163214 -71.26283 2241 -0.0242857 103 100 NA Radiopaque medium 3735
chlortetracycline HA1E trt_cp down -0.2755925 0.0040006 0.0417087 -1.0158792 -74.29719 2241 -0.0203176 103 100 NA Protein synthesis inhibitor 73707519
ramipril HA1E trt_cp down -0.2749717 0.0043300 0.0443478 -1.0135909 -85.05132 2241 0.0000000 103 100 ACE; BDKRB1 ACE inhibitor 5362129
mitotane HA1E trt_cp down -0.2749698 0.0043300 0.0443478 -1.0135839 -57.60821 2241 0.0000000 103 100 AR; CYP11A1; CYP11B1; CYP3A4; ESR1; FDX1; PGR Antineoplastic 4211
BRD-A55554369 HA1E trt_cp down -0.2749490 0.0043300 0.0443478 -1.0135072 -76.66220 2241 -0.0202701 103 100 NA NA 4870494
AMN-082 HA1E trt_cp down -0.2746453 0.0043300 0.0443478 -1.0123878 -54.70772 2241 0.0000000 103 100 GRM7 Glutamate receptor modulator; Glutamate receptor positive allosteric modulator 1894361
deltaline HA1E trt_cp down -0.2740617 0.0046813 0.0473550 -1.0102364 -84.33735 2241 0.0000000 103 100 CHRNA7 Acetylcholine receptor antagonist 441728
GBR-12935 HA1E trt_cp down -0.2738460 0.0046813 0.0473550 -1.0094415 -69.52253 2241 0.7309211 103 100 AGTR1; SLC6A3 Dopamine uptake inhibitor 3456
JTE-013 HA1E trt_cp down -0.2735321 0.0046813 0.0473550 -1.0082842 -76.30522 2241 0.0000000 103 100 P2RY10; S1PR2 Lysophospholipid receptor antagonist 10223146
PD-169316 HA1E trt_cp down -0.2726817 0.0050660 0.0503491 -1.0051495 -71.66444 2241 0.0101941 103 100 ALOX5 p38 MAPK inhibitor 4712
SC-9 HA1E trt_cp down -0.2716155 0.0054722 0.0536889 -1.0012196 -50.95939 2241 -0.0252467 103 100 NA Protein tyrosine kinase activator 124172
isonicotinohydroxamic-acid HA1E trt_cp down -0.2715919 0.0054722 0.0536889 -1.0011325 -82.24007 2241 0.0000000 103 100 NA NA 72967
oxfendazole HA1E trt_cp down -0.2715788 0.0054722 0.0536889 -1.0010842 -70.01339 2241 -0.0285699 103 100 NA Anthelmintic 40854
DAPT-GSI-IX HA1E trt_cp down -0.2706091 0.0059111 0.0571773 -0.9975096 -72.91388 2241 0.0000000 103 100 NA Gamma secretase inhibitor NotFound
tyrphostin-AG-538 HA1E trt_cp down -0.2701318 0.0063767 0.0607224 -0.9957504 -68.76394 2241 0.0000000 103 100 EGFR IGF-1 inhibitor 5328760
BRD-K37372998 HA1E trt_cp down -0.2699993 0.0063767 0.0607224 -0.9952620 -70.28112 2241 -0.0199052 103 100 NA NA 24747160
halcinonide HA1E trt_cp down -0.2690432 0.0068820 0.0646108 -0.9917374 -67.11290 2241 0.0000000 103 100 NR3C1; SMO Glucocorticoid receptor agonist 73707616
PP-3 HA1E trt_cp down -0.2689827 0.0068820 0.0646108 -0.9915143 -70.54886 2241 0.0000000 103 100 NA EGFR inhibitor 4879
piperine HA1E trt_cp down -0.2687161 0.0068820 0.0646108 -0.9905318 -73.13699 2241 -0.0219355 103 100 MAOA; MAOB; NR1I2; TRPV1 Monoamine oxidase inhibitor 638024
ZD-2079 HA1E trt_cp down -0.2686851 0.0068820 0.0646108 -0.9904173 -68.45158 2241 -0.0238254 103 100 ADRB3 Adrenergic receptor agonist 158794
phenylalanyltyrosine HA1E trt_cp down -0.2685518 0.0068820 0.0646108 -0.9899263 -66.97903 2241 -0.0197985 103 100 NA NA 515709
prunetin HA1E trt_cp down -0.2682707 0.0074167 0.0686906 -0.9888898 -74.65417 2241 -0.0098889 103 100 ABCG2; ALDH2 Breast cancer resistance protein inhibitor 5281804
propoxycaine HA1E trt_cp down -0.2681485 0.0074167 0.0686906 -0.9884393 -66.53280 2241 0.0000000 103 100 NA Local anesthetic 6843
prothionamide HA1E trt_cp down -0.2673762 0.0079852 0.0728252 -0.9855926 -67.29139 2241 -0.0236327 103 100 NA Mycobacterium tuberculosis enoyl-[acyl-carrier-protein] reductase [NADH] (inhA) inhibitor 666418
flavokavain-b HA1E trt_cp down -0.2667516 0.0079852 0.0728252 -0.9832903 -60.24096 2241 0.0311313 103 100 HIF1A Antineoplastic 5356121
MR-16728 HA1E trt_cp down -0.2663345 0.0085974 0.0775773 -0.9817529 -51.80723 2241 0.0000000 103 100 NA Acetylcholine release enhancer; Acetylcholine release stimulant 378811
ivermectin HA1E trt_cp down -0.2661866 0.0085974 0.0775773 -0.9812075 -59.66087 2241 0.3322484 103 100 CHRNA7; GABRB3; GLRA3; P2RX7 GABA receptor agonist 45114068
alfadolone-acetate HA1E trt_cp down -0.2654218 0.0092511 0.0825040 -0.9783885 -70.41499 2241 -0.0254773 103 100 NA NA 24733
fluocinolone-acetonide HA1E trt_cp down -0.2653984 0.0092511 0.0825040 -0.9783021 -77.73315 2241 -0.0162416 103 100 NA NA 6215
emodic-acid HA1E trt_cp down -0.2652762 0.0092511 0.0825040 -0.9778516 -65.90808 2241 0.9401579 103 100 NA Laxative 361510
naringin HA1E trt_cp down -0.2644682 0.0099400 0.0874763 -0.9748733 -72.11066 2241 -0.0129585 103 100 SLCO1A2 Cytochrome P450 inhibitor 442428
reserpine HA1E trt_cp down -0.2641749 0.0099400 0.0874763 -0.9737923 -64.88175 2241 -0.8134958 103 100 ABCG2; BIRC5; DBH; PNMT; SLC18A1; SLC18A2; TH Vesicular monoamine transporter inhibitor 11908593
BRD-K53011428 HA1E trt_cp down -0.2640689 0.0099400 0.0874763 -0.9734014 -66.35431 2241 -0.0194680 103 100 NA NA 1257201
BRD-K59761766 HA1E trt_cp down -0.2638053 0.0099400 0.0874763 -0.9724298 -70.54886 2241 -0.0194486 103 100 NA NA 2819767
hispidin HA1E trt_cp down -0.2635023 0.0099400 0.0874763 -0.9713128 -61.17805 2241 0.0000000 103 100 PREP; PRKCB PKC inhibitor 5353671
BRD-K22006123 HA1E trt_cp down -0.2632650 0.0106731 0.0926154 -0.9704379 -59.12539 2241 -0.0164102 103 100 NA NA 24747212
SA-1459020 NKDBA trt_cp down -0.2631536 0.0106731 0.0926154 -1.0628133 NA 229 -0.6650146 103 100 NA NA 54657758
BRD-K24632213 HA1E trt_cp down -0.2628818 0.0106731 0.0926154 -0.9690255 -74.47568 2241 0.0000000 103 100 NA NA 814607
BRD-K21640605 HA1E trt_cp down -0.2624552 0.0114617 0.0981981 -0.9674530 -69.03168 2241 -0.7431240 103 100 NA NA 665093
SA-440772 NKDBA trt_cp down -0.2623475 0.0114617 0.0981981 -1.0595573 NA 229 -0.4032394 103 100 NA NA 44495084
dicyclohexylurea HA1E trt_cp down -0.2616551 0.0114617 0.0981981 -0.9645036 -58.90228 2241 -0.0289351 103 100 EPHX2 Epoxide hydolase inhibitor 4277
indirubin-3-monoxime HA1E trt_cp down -0.2615170 0.0114617 0.0981981 -0.9639947 -66.71129 2241 -0.0221783 103 100 NA NA 3707
dilazep HA1E trt_cp down -0.2609802 0.0122900 0.1039574 -0.9620158 -61.44578 2241 -0.6415199 103 100 CACNA1C; SLC29A1 Adenosine reuptake inhibitor 3074
BRD-K93367411 HA1E trt_cp down -0.2608003 0.0122900 0.1039574 -0.9613529 -55.42169 2241 0.0000000 103 100 NA NA 40482356
ibuprofen HA1E trt_cp down -0.2605776 0.0122900 0.1039574 -0.9605320 -67.91611 2241 -0.9607160 103 100 ACSM2A; AKR1C2; AKR1C3; APP; ASIC1; BCL2; CFTR; CYP2C8; CYP2C9; FABP2; FABP4; GP1BA; LTF; PLAT; PPARA; PPARG; S100A7; SLC5A8; TF; THBD Cyclooxygenase inhibitor; NFkB pathway inhibitor 3672
phenazopyridine HA1E trt_cp down -0.2605403 0.0122900 0.1039574 -0.9603945 -61.04418 2241 -0.9668111 103 100 SCN1A Local anesthetic 8691
SR-57227A HA1E trt_cp down -0.2599989 0.0131762 0.1100757 -0.9583989 -49.97769 2241 0.0000000 103 100 HTR3A Serotonin receptor agonist 131746
BRD-K10355322 HA1E trt_cp down -0.2599486 0.0131762 0.1100757 -0.9582135 -73.00312 2241 -0.0191643 103 100 NA NA 5823053
GR-135531 HA1E trt_cp down -0.2598690 0.0131762 0.1100757 -0.9579199 -79.83043 2241 -0.0191584 103 100 NA Melatonin receptor agonist 4284525
betamethasone-acetate HA1E trt_cp down -0.2598497 0.0131762 0.1100757 -0.9578488 -64.16778 2241 0.0000000 103 100 NA NA 443967
SA-97259 NKDBA trt_cp down -0.2589766 0.0141064 0.1163871 -1.0459431 NA 229 0.6096490 103 100 NA NA 44500706
meclizine HA1E trt_cp down -0.2583214 0.0150962 0.1229198 -0.9522152 -64.52477 2241 0.0000000 103 100 NR1I3 NA 92303
carbacyclin HA1E trt_cp down -0.2582160 0.0150962 0.1229198 -0.9518265 -75.81437 2241 0.0000000 103 100 PPARD; PTGDR; PTGER1; PTGER2; PTGER3; PTGER4; PTGFR; PTGIR; TBXA2R IP receptor activator; PPAR receptor agonist 5311242
nafadotride HA1E trt_cp down -0.2580643 0.0150962 0.1229198 -0.9512673 -79.60732 2241 -0.0265991 103 100 DRD3 Dopamine receptor antagonist 3408722
cilastatin HA1E trt_cp down -0.2573841 0.0161437 0.1295893 -0.9487600 -63.09683 2241 0.0000000 103 100 DPEP1 Dehydropeptidase inhibitor 6435415
BRD-K03552198 HA1E trt_cp down -0.2572617 0.0161437 0.1295893 -0.9483089 -64.74788 2241 -0.9493239 103 100 NA NA 1562008
ephedrine-(racemic) HA1E trt_cp down -0.2571581 0.0161437 0.1295893 -0.9479269 -70.81660 2241 0.0000000 103 100 NA NA NotFound
purvalanol-b HA1E trt_cp down -0.2569570 0.0161437 0.1295893 -0.9471859 -59.70549 2241 -0.7521585 103 100 CDK2; CDK4; CDK5; MAPK3; SRPK2 Tyrosine kinase inhibitor 448991
FR-122047 HA1E trt_cp down -0.2565435 0.0161437 0.1295893 -0.9456617 -64.07854 2241 -0.0283699 103 100 NA Cyclooxygenase inhibitor 196841
BW-723C86 HA1E trt_cp down -0.2558823 0.0172593 0.1370126 -0.9432244 -53.10129 2241 0.0000000 103 100 HTR2B Serotonin receptor agonist 5311036
BRD-A25829966 HA1E trt_cp down -0.2556822 0.0172593 0.1370126 -0.9424865 -68.80857 2241 -0.0142754 103 100 NA NA 44537690
BRD-A72069525 HA1E trt_cp down -0.2552701 0.0184416 0.1447729 -0.9409674 -67.20214 2241 0.0000000 103 100 NA NA 551940
haematoxylin-pentaacetate HA1E trt_cp down -0.2548500 0.0184416 0.1447729 -0.9394190 -66.66667 2241 -0.9426402 103 100 NA NA 6708558
BRD-A98200599 HA1E trt_cp down -0.2547754 0.0184416 0.1447729 -0.9391442 -59.17001 2241 -0.0187829 103 100 NA NA 570188
BRD-K63181962 HA1E trt_cp down -0.2539064 0.0196884 0.1526833 -0.9359407 -67.15752 2241 0.0000000 103 100 NA NA 44142057
BRD-K87657228 HA1E trt_cp down -0.2534230 0.0210094 0.1610253 -0.9341589 -67.06827 2241 0.0000000 103 100 NA NA 44229067
L-168049 HA1E trt_cp down -0.2528611 0.0210094 0.1610253 -0.9320875 -66.30968 2241 -0.6536810 103 100 GCGR Glucagon receptor antagonist 5311276
amlodipine HA1E trt_cp down -0.2525706 0.0210094 0.1610253 -0.9310168 -57.47434 2241 0.0000000 103 100 ABCG2; CA1; CACNA1B; CACNA1C; CACNA1D; CACNA1S; CACNA2D1; CACNA2D3; CACNB1; CACNB2; CYP2B6; SMPD1 Calcium channel blocker 2162
flunisolide HA1E trt_cp down -0.2522768 0.0223871 0.1699687 -0.9299336 -43.68585 2241 0.0000000 103 100 NR3C1 Cytochrome P450 inhibitor 5702174
SA-1472321 NKDBA trt_cp down -0.2520327 0.0223871 0.1699687 -1.0178985 NA 229 -0.6819920 103 100 NA NA 54653980
azaperone HA1E trt_cp down -0.2518762 0.0223871 0.1699687 -0.9284572 -53.27979 2241 0.0000000 103 100 DRD3 Dopamine receptor antagonist 15443
CO-102862 HA1E trt_cp down -0.2512130 0.0238390 0.1793333 -0.9260123 -64.43552 2241 0.0000000 103 100 SCN2A; SCN4A; SCN9A Sodium channel blocker 10221150
flumazenil HA1E trt_cp down -0.2509552 0.0238390 0.1793333 -0.9250621 -45.15841 2241 -0.0237234 103 100 GABRA2; GABRA3; GABRA4; GABRA5; GABRA6; GABRB1; GABRB2; GABRB3; GABRD; GABRE; GABRG1; GABRG2; GABRG3; GABRP; GABRQ Benzodiazepine receptor antagonist 3373
BRD-A24054354 HA1E trt_cp down -0.2504169 0.0253670 0.1887271 -0.9230780 -53.14592 2241 0.0000000 103 100 NA NA 3516032
isogedunin HA1E trt_cp down -0.2497418 0.0253670 0.1887271 -0.9205893 -47.52343 2241 -0.7388848 103 100 NA HSP inhibitor 6708584
PAC-1 HA1E trt_cp down -0.2490590 0.0269838 0.1986654 -0.9180725 -54.88621 2241 0.5387780 103 100 CASP3 Caspase activator 135421197
canrenoic-acid HA1E trt_cp down -0.2480786 0.0286771 0.2091219 -0.9144585 -60.91031 2241 -0.0250729 103 100 NA Mineralocorticoid receptor antagonist 656615
BRD-A81936046 HA1E trt_cp down -0.2474868 0.0304564 0.2199330 -0.9122770 -58.27755 2241 -0.6294711 103 100 NA NA 73707403
6-benzylaminopurine HA1E trt_cp down -0.2458841 0.0323254 0.2303884 -0.9063694 -56.93887 2241 -0.9128082 103 100 NA Purinergic receptor activator 62389
methoxsalen HA1E trt_cp down -0.2455576 0.0323254 0.2303884 -0.9051656 -66.97903 2241 -0.0181033 103 100 ACHE; CYP1A2 DNA synthesis inhibitor 4114
BMS-191011 HA1E trt_cp down -0.2455520 0.0323254 0.2303884 -0.9051450 -68.85319 2241 -0.3349036 103 100 KCNMA1 Potassium channel activator 10474339
ABT-737 HA1E trt_cp down -0.2455019 0.0323254 0.2303884 -0.9049605 -52.03034 2241 0.0000000 103 100 BAD; BCL2; BCL2L1; BCL2L2 BCL inhibitor 11228183
nalbuphine HA1E trt_cp down -0.2454334 0.0342699 0.2416618 -0.9047080 -62.24900 2241 0.0000000 103 100 OPRD1; OPRK1; OPRM1 Opioid receptor agonist; Opioid receptor antagonist 23581814
SA-96816 NKDBA trt_cp down -0.2451386 0.0342699 0.2416618 -0.9900550 NA 229 -0.6633369 103 100 NA NA 44494782
diprotin-a HA1E trt_cp down -0.2449533 0.0342699 0.2416618 -0.9029383 -44.97992 2241 -0.0090294 103 100 DPP4 Dipeptidyl peptidase inhibitor 94701
BI-2536 HA1E trt_cp down -0.2434189 0.0384309 0.2660236 -0.8972822 -52.69969 2241 0.0257296 103 100 BRD4; PLK1; PLK2; PLK3 PLK inhibitor 11364421
BRD-K03954795 HA1E trt_cp down -0.2433035 0.0384309 0.2660236 -0.8968567 -70.90585 2241 -0.9019912 103 100 NA NA 902452
SA-1938757 NKDBA trt_cp down -0.2431892 0.0384309 0.2660236 -0.9821820 NA 229 -0.6580619 103 100 NA NA 60186845
SA-1459167 NKDBA trt_cp down -0.2424118 0.0406627 0.2789933 -0.9790421 NA 229 -0.6559582 103 100 NA NA 54658498
nitrarine HA1E trt_cp down -0.2418176 0.0406627 0.2789933 -0.8913793 -56.44801 2241 -0.0178276 103 100 NA NA 398797
tyrphostin-AG-18 HA1E trt_cp down -0.2399840 0.0454073 0.3050338 -0.8846204 -44.17671 2241 0.0000000 103 100 EGFR EGFR inhibitor; Tyrosine kinase inhibitor NotFound
lasalocid HA1E trt_cp down -0.2396249 0.0454073 0.3050338 -0.8832969 -55.86792 2241 0.0000000 103 100 NA Bacterial permeability inducer 5360807
MRS-1754 HA1E trt_cp down -0.2395947 0.0454073 0.3050338 -0.8831855 -36.54618 2241 0.0000000 103 100 ADORA1; ADORA2A; ADORA2B; ADORA3 Adenosine receptor antagonist 6603931
etifenin HA1E trt_cp down -0.2395642 0.0454073 0.3050338 -0.8830729 -42.79340 2241 -0.0217408 103 100 NA Compound used in hepatobiliary scans of the liver 170344
BRD-K19826688 HA1E trt_cp down -0.2388093 0.0479389 0.3144514 -0.8802903 -61.35654 2241 0.0000000 103 100 NA NA NotFound
SA-1462246 NKDBA trt_cp down -0.2377951 0.0505539 0.3144514 -0.9603964 NA 229 -1.0670241 103 100 NA NA 54655268
altanserin HA1E trt_cp down -0.2368524 0.0532625 0.3144514 -0.8730770 -47.30031 2241 -0.8826340 103 100 NA Serotonin receptor antagonist 3033677
SB-216763 HA1E trt_cp down -0.2367336 0.0532625 0.3144514 -0.8726391 -45.38153 2241 0.0000000 103 100 CDK2; GSK3A; GSK3B Glycogen synthase kinase inhibitor 176158
fraxetin HA1E trt_cp down -0.2364860 0.0560729 0.3144514 -0.8717262 -54.08300 2241 0.0000000 103 100 NA Antioxidant 5273569
SA-419083 NKDBA trt_cp down -0.2362337 0.0560729 0.3144514 -0.9540901 NA 229 0.0000000 103 100 NA NA 44505047
GBR-13069 HA1E trt_cp down -0.2361188 0.0560729 0.3144514 -0.8703727 -44.97992 2241 -0.8211932 103 100 SLC6A3 Dopamine uptake inhibitor 5974189
tetrindole HA1E trt_cp down -0.2359759 0.0560729 0.3144514 -0.8698460 -44.48907 2241 0.0000000 103 100 MAOA Monoamine oxidase inhibitor 160019
diphenidol HA1E trt_cp down -0.2358665 0.0560729 0.3144514 -0.8694427 -47.25569 2241 0.0000000 103 100 CHRM1; CHRM4 Acetylcholine receptor agonist 3055
BRD-K18595892 HA1E trt_cp down -0.2357605 0.0560729 0.3144514 -0.8690521 -51.53949 2241 -0.0153882 103 100 NA NA 3240581
NVP-AUY922 HA1E trt_cp down -0.2356619 0.0560729 0.3144514 -0.8686886 -49.57608 2241 -0.5484437 103 100 HSP90AA1; HSP90AA2; HSP90AB1; HSP90B1; TRAP1 HSP inhibitor 10096043
Ro-10-5824 HA1E trt_cp down -0.2339831 0.0620255 0.3144514 -0.8625002 -36.99241 2241 0.0000000 103 100 DRD4 NA 16759175
probucol HA1E trt_cp down -0.2338753 0.0620255 0.3144514 -0.8621027 -36.90317 2241 0.0000000 103 100 ABCA1; ABCB11; APOA1; APOA2; APOB; APOE; CES1; CETP; SCARB1; SELE; VCAM1 Atherogenesis inhibitor 4912
naproxen HA1E trt_cp down -0.2337769 0.0620255 0.3144514 -0.8617403 -57.20660 2241 -0.8630417 103 100 AKR1C2; AKR1C3; CYP2C9; LTF; PNLIP; TF Cyclooxygenase inhibitor 1302
BRD-K73610817 HA1E trt_cp down -0.2336008 0.0620255 0.3144514 -0.8610908 -44.08746 2241 0.0000000 103 100 NA NA 3426979
clemastine HA1E trt_cp down -0.2333210 0.0651636 0.3144514 -0.8600596 -50.78090 2241 0.0000000 103 100 HRH1 Histamine receptor antagonist 26987
flavoxate HA1E trt_cp down -0.2327666 0.0651636 0.3144514 -0.8580161 -39.98215 2241 -0.0257405 103 100 CHRM1 Acetylcholine receptor antagonist 3354
BRD-K39187410 HA1E trt_cp down -0.2321663 0.0684082 0.3144514 -0.8558032 -41.14235 2241 0.0000000 103 100 NA NA 11957531
GW-311616 HA1E trt_cp down -0.2317784 0.0684082 0.3144514 -0.8543731 -40.96386 2241 -0.0238986 103 100 ELANE Leukocyte elastase inhibitor 44483335
mebeverine HA1E trt_cp down -0.2315973 0.0684082 0.3144514 -0.8537058 -48.54975 2241 0.0000000 103 100 CHRM1; CHRM4; IL13 Acetylcholine receptor antagonist 4031
Ro-04-6790 HA1E trt_cp down -0.2313701 0.0717490 0.3144514 -0.8528684 -38.06336 2241 0.0000000 103 100 HTR6 Serotonin receptor antagonist 5312145
benzo(a)pyrene HA1E trt_cp down -0.2312117 0.0717490 0.3144514 -0.8522842 -49.84382 2241 0.0094531 103 100 NA Carcinogen 2336
BMY-7378 HA1E trt_cp down -0.2309032 0.0717490 0.3144514 -0.8511471 -46.31861 2241 -0.0255344 103 100 ADRA1A; ADRA1B; ADRA1D Adrenergic receptor antagonist; Serotonin receptor antagonist 2419
caffeic-acid HA1E trt_cp down -0.2298200 0.0751866 0.3144514 -0.8471545 -34.85051 2241 0.0000000 103 100 ALOX5; MIF; RELA; TNF HIV integrase inhibitor; Lipoxygenase inhibitor; NFkB pathway inhibitor; Nitric oxide production inhibitor; PPAR receptor modulator; TNF production inhibitor; Tumor necrosis factor production inhibitor 689043
phensuximide HA1E trt_cp down -0.2292755 0.0787550 0.3144514 -0.8451471 -51.71798 2241 0.0188449 103 100 NA Succinimide antiepileptic 6839
rotenonic-acid HA1E trt_cp down -0.2288447 0.0787550 0.3144514 -0.8435593 -47.61267 2241 0.0227722 103 100 NA Retinoid receptor antagonist 6708539
BRD-K61894884 HA1E trt_cp down -0.2277312 0.0823825 0.3144514 -0.8394545 -54.39536 2241 0.0000000 103 100 NA NA NotFound
LY-456236 HA1E trt_cp down -0.2252178 0.0939448 0.3144514 -0.8301900 -51.94110 2241 -0.5811330 103 100 GRM1 Glutamate receptor antagonist 9926999
RS-102895 HA1E trt_cp down -0.2248267 0.0939448 0.3144514 -0.8287482 -48.54975 2241 -0.0165750 103 100 CCR2 CCR antagonist 10000456
SDZ-21009 HA1E trt_cp down -0.2243748 0.0979693 0.3144514 -0.8270823 -50.20080 2241 0.0000000 103 100 NA NA 193949
SA-247582 NKDBA trt_cp down -0.2235732 0.0979693 0.3144514 -0.9029576 NA 229 -0.6049816 103 100 NA NA 44508028
PK-11195 HA1E trt_cp down -0.2227703 0.1020951 0.3144514 -0.8211681 -31.59304 2241 -0.7497236 103 100 NR1I2; NR1I3; TSPO Benzodiazepine receptor antagonist 1345
diclofenamide HA1E trt_cp down -0.2207412 0.1106222 0.3144514 -0.8136884 -38.19723 2241 0.0000000 103 100 CA1; CA12; CA3; CA4; CA7 Carbonic anhydrase inhibitor 3038
CNQX HA1E trt_cp down -0.2190591 0.1195050 0.3144514 -0.8074878 -59.12539 2241 -0.0159188 103 100 GRIA1; GRIA3; GRIA4 Glutamate receptor antagonist 3721046
alisertib HA1E trt_cp down -0.2189582 0.1195050 0.3144514 -0.8071159 -45.64926 2241 -0.5569100 103 100 AURKA Aurora kinase inhibitor 24771867
benzbromarone HA1E trt_cp down -0.2179305 0.1240573 0.3144514 -0.8033278 -42.25792 2241 -0.0160666 103 100 ABCC1; CYP2C9; SLC22A12 Chloride channel blocker 2333
GW-6471 HA1E trt_cp down -0.2170454 0.1286736 0.3144514 -0.8000652 -43.46274 2241 0.0000000 103 100 PPARA PPAR receptor antagonist 44634742
sertraline HA1E trt_cp down -0.2165616 0.1286736 0.3144514 -0.7982818 -33.28871 2241 0.0000000 103 100 CYP2C9; PGRMC1; SIGMAR1; SLC6A3; SLC6A4 Serotonin receptor antagonist 6093397
BRD-K89097220 HA1E trt_cp down -0.2160297 0.1333588 0.3144514 -0.7963209 -51.09326 2241 0.0000000 103 100 NA NA 7122097
BRD-K23673040 HA1E trt_cp down -0.2158181 0.1333588 0.3144514 -0.7955410 -44.84605 2241 0.0000000 103 100 NA NA 690299
pregnenolone HA1E trt_cp down -0.2153610 0.1381184 0.3144514 -0.7938559 -40.91923 2241 0.0000000 103 100 BPNT1; CGA; CYP11A1; CYP17A1; CYP21A2; CYP7B1; HSD3B1; HSD3B2; LHB; NR1I2; PGR; POMC; STS; SULT2A1; SULT2B1 Acetylcholine release enhancer; Dopamine release enhancer; GABA receptor negative allosteric modulator; glutamate receptor modulator; Glutamate receptor modulator 7088398
vorinostat HA1E trt_cp down -0.2144667 0.1429115 0.3144514 -0.7905594 -27.26461 2241 0.0000000 103 100 HDAC1; HDAC10; HDAC11; HDAC2; HDAC3; HDAC4; HDAC5; HDAC6; HDAC7; HDAC8; HDAC9 HDAC inhibitor 5311
m-3M3FBS HA1E trt_cp down -0.2100794 0.1625104 0.3144514 -0.7743872 -43.55199 2241 -0.0232316 103 100 PLCB2; PLCB3; PLCD1; PLCG1; PLCG2 NA 761523
BRD-A64850503 HA1E trt_cp down -0.2099748 0.1625104 0.3144514 -0.7740018 -38.19723 2241 0.0000000 103 100 NA NA 4302116
tebuthiuron HA1E trt_cp down -0.2095940 0.1625104 0.3144514 -0.7725980 -42.25792 2241 0.0000000 103 100 NA Photosynthesis inhibitor 5383
biochanin-a HA1E trt_cp down -0.2089191 0.1674784 0.3144514 -0.7701102 -30.83445 2241 -0.0231033 103 100 NA Estrogen receptor agonist 5280373
SB-222200 HA1E trt_cp down -0.2064228 0.1824439 0.3144514 -0.7609083 -39.80366 2241 0.0000000 103 100 TACR3 Tachykinin antagonist 6604009
BRD-K93975822 HA1E trt_cp down -0.2033633 0.1973085 0.3144514 -0.7496305 -35.16287 2241 -0.0149926 103 100 NA NA 44142065
gelsemine HA1E trt_cp down -0.2020435 0.2022059 0.3144514 -0.7447654 -36.50156 2241 0.0000000 103 100 GLRA3 Acetylcholine receptor antagonist; Glycine receptor antagonist 5390854
entinostat HA1E trt_cp down -0.2019651 0.2022059 0.3144514 -0.7444765 -37.03704 2241 0.0000000 103 100 HDAC1; HDAC2; HDAC3; HDAC9 HDAC inhibitor 4261
ISOX HA1E trt_cp down -0.2019059 0.2022059 0.3144514 -0.7442585 -36.85855 2241 0.0000000 103 100 HDAC6 HDAC inhibitor 24951314
AGK-2 HA1E trt_cp down -0.2017151 0.2022059 0.3144514 -0.7435549 -32.97635 2241 -0.7383645 103 100 SIRT2 SIRT inhibitor 2130404
SA-1939936 NKDBA trt_cp down -0.2016764 0.2022059 0.3144514 -0.8145217 NA 229 0.0000000 103 100 NA NA 60189878
gabazine HA1E trt_cp down -0.2014546 0.2070626 0.3144514 -0.7425948 -29.85274 2241 0.0000000 103 100 GABRA2; GABRA3; GABRA4; GABRA5; GABRA6; GABRG2 GABA receptor antagonist 107895
desipramine HA1E trt_cp down -0.1999933 0.2118579 0.3144514 -0.7372082 -36.59081 2241 0.0000000 103 100 ADRA1A; ADRA1B; ADRA1D; ADRA2B; ADRA2C; ADRB1; ADRB2; CHRM1; CHRM4; CHRM5; HRH1; SLC22A3; SLC6A2; SLC6A4; SMPD1; TH Tricyclic antidepressant 2995
BRD-K71746704 HA1E trt_cp down -0.1986667 0.2166037 0.3144514 -0.7323182 -41.49933 2241 0.0000000 103 100 NA NA 10402601
papaverine HA1E trt_cp down -0.1980752 0.2213004 0.3144514 -0.7301377 -35.92146 2241 0.0000000 103 100 PDE10A; PDE4B; PDE5A Phosphodiesterase inhibitor 6084
BRD-K69304050 HA1E trt_cp down -0.1978893 0.2213004 0.3144514 -0.7294524 -33.19946 2241 0.0000000 103 100 NA NA 25243777
maprotiline HA1E trt_cp down -0.1954739 0.2348545 0.3144514 -0.7205489 -32.48550 2241 0.0000000 103 100 ADRA1A; ADRA1B; ADRA1D; ADRA2B; ADRA2C; CHRM1; CHRM4; CHRM5; HRH1; HTR7; SLC6A2 Norepinephrine reuptake inhibitor; Tricyclic antidepressant 4011
bezafibrate HA1E trt_cp down -0.1945525 0.2348545 0.3144514 -0.7171524 -36.72468 2241 -0.2653464 103 100 APOA1; APOA2; APOB; APOE; CETP; CRAT; HBE1; HBG1; HBG2; HSD11B1; LPL; NR1I2; PPARA; PPARD; PPARG; RXRA; RXRB; RXRG; SERPINE1; UCP3 PPAR receptor agonist 39042
xylazine HA1E trt_cp down -0.1927797 0.2434283 0.3144514 -0.7106177 -46.22936 2241 0.0000000 103 100 ADRA2B; ADRA2C Adrenergic receptor agonist 5707
FIT HA1E trt_cp down -0.1925166 0.2434283 0.3144514 -0.7096477 -29.98661 2241 0.0309952 103 100 OPRD1 Opioid receptor agonist 84008
apicidin HA1E trt_cp down -0.1923484 0.2475593 0.3144514 -0.7090277 -35.78759 2241 0.0000000 103 100 HDAC1; HDAC10; HDAC11; HDAC2; HDAC3; HDAC4; HDAC5; HDAC6; HDAC7; HDAC8; HDAC9 HDAC inhibitor 467801
r(-)-propylnorapomorphine HA1E trt_cp down -0.1910051 0.2515630 0.3144514 -0.7040763 -32.03927 2241 -0.0211223 103 100 DRD1; DRD3 Dopamine receptor agonist; TRPA1 modulator NotFound
finasteride HA1E trt_cp down -0.1905788 0.2515630 0.3144514 -0.7025048 -26.41678 2241 -0.7030594 103 100 AKR1D1; AR; KLK3; SRD5A1; SRD5A2 5-alpha reductase inhibitor 10970751
PSH-013 HA1E trt_cp down -0.1905323 0.2515630 0.3144514 -0.7023335 -36.68005 2241 -0.0133699 103 100 NA NA 6572379
phosphodiesterase-V-inhibitor-II HA1E trt_cp down -0.1904580 0.2554585 0.3144514 -0.7020596 -32.21776 2241 0.0000000 103 100 PDE5A Phosphodiesterase inhibitor 11003969
nitrendipine HA1E trt_cp down -0.1901074 0.2554585 0.3144514 -0.7007673 -32.93173 2241 0.0000000 103 100 CACNA1C; CACNA1D; CACNA1H; CACNA1S; CACNA2D1; CACNA2D2; CACNB2; CACNG1; KCNN4 Calcium channel blocker 4507
nitrocaramiphen HA1E trt_cp down -0.1883956 0.2628384 0.3144514 -0.6944573 -22.44534 2241 0.0000000 103 100 NA Cholinergic receptor antagonist 25102587
xaliproden HA1E trt_cp down -0.1873725 0.2663461 0.3144514 -0.6906859 -31.41455 2241 0.0000000 103 100 MAPK3 Serotonin receptor agonist 128919
cytosporone-b HA1E trt_cp down -0.1868775 0.2663461 0.3144514 -0.6888613 -27.80009 2241 0.0000000 103 100 NR4A1 NUR77 receptor agonist 10687292
BRD-K85051645 HA1E trt_cp down -0.1861812 0.2697161 0.3144514 -0.6862944 -31.72691 2241 -0.0137259 103 100 NA NA 56643193
SKF-81297 HA1E trt_cp down -0.1851943 0.2729519 0.3144514 -0.6826566 -30.56671 2241 -0.2525829 103 100 DRD1 Dopamine receptor agonist 11957706
FU-JMBII127B HA1E trt_cp down -0.1835483 0.2760193 0.3144514 -0.6765892 -23.56091 2241 0.0000000 103 100 NA NA 24856313
purvalanol-a HA1E trt_cp down -0.1833085 0.2789413 0.3144514 -0.6757054 -28.82642 2241 0.0000000 103 100 CCND1; CCNE1; CDK1; CDK2; CDK4; CDK5; CSNK1G3; RPS6KA1; SRC CDK inhibitor; DYRK inhibitor 456214
LY-278584 HA1E trt_cp down -0.1821897 0.2817278 0.3144514 -0.6715814 -25.47970 2241 0.0000000 103 100 HTR3A Serotonin receptor antagonist 3970
resveratrol HA1E trt_cp down -0.1816054 0.2817278 0.3144514 -0.6694274 -30.83445 2241 0.0000000 103 100 AHR; AKT1; ALOX15; ALOX5; APOA1; APP; ATP5A1; ATP5B; ATP5C1; BACE1; CBR1; CLEC14A; CSNK2A1; ITGA5; ITGB3; KHSRP; MAOA; MAT2B; MTNR1A; MTNR1B; NQO2; NR1I2; NR1I3; PI4K2B; PPARA; PPARG; SCN5A; SIRT1; SIRT5; SLC2A1; SNCA; SULT1B1; TXNRD1; TXNRD2; YARS Cytochrome P450 inhibitor; SIRT activator 445154
BRD-K64024097 HA1E trt_cp down -0.1807426 0.2843721 0.3144514 -0.6662469 -39.17894 2241 0.0000000 103 100 NA NA 73055061
SA-1922261 NKDBA trt_cp down -0.1786190 0.2892208 0.3144514 -0.7213985 NA 229 -0.4833370 103 100 NA NA 54666567
sonidegib HA1E trt_cp down -0.1755672 0.2954248 0.3144514 -0.6471695 -34.44891 2241 0.0000000 103 100 SMO NA 24775005
lumicolchicine HA1E trt_cp down -0.1707882 0.3031937 0.3144514 -0.6295534 -29.49576 2241 0.0238547 103 100 NA Colchicine isomer; non-binder of microtubules 244898
BRD-K28366444 HA1E trt_cp down -0.1698306 0.3043983 0.3144514 -0.6260234 -35.16287 2241 -0.8064634 103 100 NA NA 3234518
RHC-80267 HA1E trt_cp down -0.1664103 0.3082453 0.3144514 -0.6134158 -26.41678 2241 0.0000000 103 100 DAGLA; DAGLB; LIPC; LIPE; LIPG Triacylglycerol lipase inhibitor 5063
SA-427604 NKDBA trt_cp down -0.1655598 0.3082453 0.3144514 -0.6686556 NA 229 -0.4479992 103 100 NA NA 44620034
PSH-021 HA1E trt_cp down -0.1647523 0.3089922 0.3144514 -0.6073042 -30.47747 2241 -0.0121461 103 100 NA NA 24747176
emetine HA1E trt_cp down -0.1619329 0.3107999 0.3144514 -0.5969112 -33.15484 2241 0.0000000 103 100 MRPS7; RPS11; RPS12; RPS13; RPS14; RPS15; RPS15A; RPS16; RPS19; RPS2; RPS20; RPS21; RPS23; RPS24; RPS25; RPS27; RPS27L; RPS28; RPS29; RPS3; RPS3A; RPS5; RPS6; RPS7; RPS8; RPSA; RPSAP58; RSRC1 Protein synthesis inhibitor 10219
mebendazole NKDBA trt_cp down -0.1610422 0.3112760 0.3144514 -0.6504100 NA 229 0.0000000 103 100 TUBA1A; TUBB; TUBB4B Tubulin inhibitor 4030
digoxigenin HA1E trt_cp down -0.1556963 0.3129448 0.3144514 -0.5739222 -29.98661 2241 -0.5794236 103 100 ATP1A1 Steroid 15478
EMD-386088 HA1E trt_cp down -0.1488733 0.3139856 0.3144514 -0.5487716 -21.95448 2241 -0.5540573 103 100 HTR6 Serotonin receptor agonist 10131112

Save gess and filtered gess result

GSE134719

Read in data

hom_19_UP <- read.csv(here("res", "deseq2_outputs", "GSE134719_degs_UP_220421.csv"))
hom_19_DOWN <- read.csv(here("res", "deseq2_outputs", "GSE134719_degs_DOWN_220421.csv"))

Run signatureSearch, filter for kidney cell lines

gess_kidneycells_19 <- ssRun(upgenes = as.character(hom_19_UP$entrezgene_id), downgenes = as.character(hom_19_DOWN$entrezgene_id), cells = "kidney")
## 100 / 100 genes in up set share identifiers with reference database
## 100 / 100 genes in down set share identifiers with reference database

Visualize Top 20

gess_res_vis(gess_kidneycells_19, drugs = unique(gess_kidneycells_19$pert)[1:20], col = "WTCS")

knitr::kable(gess_kidneycells_19, col.names = colnames(gess_kidneycells_19))
pert cell type trend WTCS WTCS_Pval WTCS_FDR NCS Tau TauRefSize NCSct N_upset N_downset t_gn_sym MOAss PCIDss
etifenin HA1E trt_cp down -0.3532343 0.0000285 0.0027657 -1.3914066 -93.66354 2241 0.0000000 100 100 NA Compound used in hepatobiliary scans of the liver 170344
BRL-37344 HA1E trt_cp down -0.3527752 0.0000285 0.0027657 -1.3895982 -96.60866 2241 0.0000000 100 100 ADRB1; ADRB2; ADRB3 Adrenergic receptor agonist 9841972
L-733060 HA1E trt_cp down -0.3503833 0.0000290 0.0027657 -1.3801762 -95.35921 2241 0.0000000 100 100 TACR1 Tachykinin antagonist 132846
geldanamycin HA1E trt_cp down -0.3502735 0.0000290 0.0027657 -1.3797438 -96.74253 2241 0.0000000 100 100 HSP90AA1; HSP90AB1; HSP90B1 HSP inhibitor 3460
moexipril HA1E trt_cp down -0.3462459 0.0000302 0.0027657 -1.3638791 -91.16466 2241 0.0000000 100 100 ACE; ACE2 ACE inhibitor 91270
doxylamine HA1E trt_cp down -0.3436283 0.0000307 0.0027657 -1.3535680 -97.27800 2241 0.0000000 100 100 CHRM1; HRH1; NR1I3 Histamine receptor antagonist 3162
diazepam HA1E trt_cp down -0.3400867 0.0000334 0.0027657 -1.3396177 -95.53771 2241 -0.3696447 100 100 ABAT; ADRA1A; DBI; GABRA2; GABRA3; GABRA4; GABRA5; GABRA6; GABRB1; GABRB2; GABRB3; GABRD; GABRE; GABRG1; GABRG2; GABRG3; GABRP; GABRQ; GABRR1; GABRR2; GABRR3; TSPO Benzodiazepine receptor agonist 3016
ICI-204448 HA1E trt_cp down -0.3373518 0.0000362 0.0027657 -1.3288447 -87.01473 2241 -0.0217558 100 100 OPRK1 Opioid receptor agonist 3683
nafadotride HA1E trt_cp down -0.3356206 0.0000379 0.0027657 -1.3220252 -98.17046 2241 -0.7756939 100 100 DRD3 Dopamine receptor antagonist 3408722
vinpocetine HA1E trt_cp down -0.3308412 0.0000458 0.0028052 -1.3031991 -96.16243 2241 0.0000000 100 100 PDE1A; PDE1C; SCN10A Phosphodiesterase inhibitor; Sodium channel blocker 5673
PAC-1 HA1E trt_cp down -0.3304872 0.0000480 0.0028330 -1.3018045 -92.54797 2241 0.0000000 100 100 CASP3 Caspase activator 135421197
tyrphostin-AG-18 HA1E trt_cp down -0.3301464 0.0000480 0.0028330 -1.3004621 -91.07541 2241 0.0000000 100 100 EGFR EGFR inhibitor; Tyrosine kinase inhibitor NotFound
PKCbeta-inhibitor HA1E trt_cp down -0.3291255 0.0000503 0.0028766 -1.2964409 -90.31682 2241 0.0000000 100 100 PRKCB PKC inhibitor 6419755
GW-583340 HA1E trt_cp down -0.3276159 0.0000531 0.0029421 -1.2904944 -95.04685 2241 0.0000000 100 100 EGFR; ERBB2 EGFR inhibitor; ErbB2 inhibitor; Receptor tyrosine protein kinase inhibitor 5329480
NVP-AUY922 HA1E trt_cp down -0.3268767 0.0000560 0.0030353 -1.2875826 -93.75279 2241 -1.1605392 100 100 HSP90AA1; HSP90AA2; HSP90AB1; HSP90B1; TRAP1 HSP inhibitor 10096043
CGP-57380 HA1E trt_cp down -0.3256514 0.0000594 0.0031270 -1.2827560 -89.15663 2241 -0.0236837 100 100 AURKB; LCK; MKNK1; MKNK2; SGK1 MAP kinase inhibitor 11644425
BRD-K67941506 HA1E trt_cp down -0.3255690 0.0000594 0.0031270 -1.2824318 -96.47479 2241 0.0000000 100 100 NA NA 23648028
KU-0060648 HA1E trt_cp down -0.3254064 0.0000629 0.0032362 -1.2817913 -87.77332 2241 0.0000000 100 100 PIK3CA; PIK3CB; PIK3CD; PIK3CG; PRKDC DNA dependent protein kinase inhibitor; PI3K inhibitor 11964036
LY-344864 HA1E trt_cp down -0.3229286 0.0000720 0.0034627 -1.2720310 -94.42213 2241 -0.0140544 100 100 HTR1B; HTR1D; HTR1E; HTR1F; HTR2B; HTR7 Serotonin receptor agonist 5311097
pizotifen HA1E trt_cp down -0.3224123 0.0000774 0.0035758 -1.2699971 -87.10397 2241 0.0000000 100 100 ADRA1B; ADRA1D; ADRA2B; ADRA2C; HTR1B; HTR1D; HTR2B Serotonin receptor antagonist 27400
indirubin-3-monoxime HA1E trt_cp down -0.3223492 0.0000774 0.0035758 -1.2697487 -92.63722 2241 0.0296066 100 100 NA NA 3707
JTE-907 HA1E trt_cp down -0.3210093 0.0000829 0.0036791 -1.2644706 -90.89692 2241 -0.0256097 100 100 CNR2 Cannabinoid receptor inverse agonist 9867770
ecopipam HA1E trt_cp down -0.3166337 0.0001118 0.0043781 -1.2472350 -93.08344 2241 0.0000000 100 100 DRD1 Dopamine receptor antagonist 107930
proadifen HA1E trt_cp down -0.3151227 0.0001317 0.0048384 -1.2412833 -94.06515 2241 0.0000000 100 100 NOS1 Nitric oxide synthase inhibitor 4910
BRD-K78797196 HA1E trt_cp down -0.3149712 0.0001317 0.0048384 -1.2406864 -95.04685 2241 -0.0208398 100 100 NA NA 4292126
bisacodyl HA1E trt_cp down -0.3144715 0.0001429 0.0051032 -1.2387179 -94.24364 2241 0.0000000 100 100 NA Laxative 2391
levomepromazine HA1E trt_cp down -0.3117181 0.0001678 0.0056290 -1.2278725 -92.28023 2241 -0.0316712 100 100 ADRA1A; ADRA1B; ADRA1D; ADRA2B; ADRA2C; CHRM1; CHRM4; CHRM5; DRD1; DRD3; DRD4; HRH1 Dopamine receptor antagonist 45479743
UCL-2077 HA1E trt_cp down -0.3115634 0.0001678 0.0056290 -1.2272631 -88.21954 2241 0.0000000 100 100 NA Slow after hyperpolarization channel blocker 24868317
BRD-K21640605 HA1E trt_cp down -0.3105156 0.0001829 0.0059181 -1.2231357 -91.78938 2241 0.0000000 100 100 NA NA 665093
iopanoic-acid HA1E trt_cp down -0.3092897 0.0002197 0.0066834 -1.2183067 -90.00446 2241 0.0000000 100 100 NA Radiopaque medium 3735
EMD-386088 HA1E trt_cp down -0.3086546 0.0002197 0.0066834 -1.2158049 -89.06738 2241 0.0000000 100 100 HTR6 Serotonin receptor agonist 10131112
YM-976 HA1E trt_cp down -0.3061182 0.0002885 0.0080981 -1.2058141 -92.41410 2241 0.0000000 100 100 PDE4A; PDE4B; PDE4C; PDE4D; TNF Phosphodiesterase inhibitor 6604918
BRD-K63181962 HA1E trt_cp down -0.3048264 0.0003168 0.0086859 -1.2007256 -92.77108 2241 0.6805880 100 100 NA NA 44142057
IB-MECA HA1E trt_cp down -0.3016991 0.0004167 0.0106450 -1.1884070 -83.22178 2241 0.0000000 100 100 ADORA1; ADORA2A; ADORA2B; ADORA3 Adenosine receptor agonist 3668
mepacrine HA1E trt_cp down -0.3015095 0.0004167 0.0106450 -1.1876602 -87.28246 2241 0.0000000 100 100 AKT1; MTOR; NFKB1; PLA2G1B; PLA2G2A; PLA2G2D; PLA2G4A; PLA2G6; PLCL1; TP53 Cytokine production inhibitor; NFkB pathway inhibitor; TP53 activator 237
PP-30 HA1E trt_cp down -0.3010807 0.0004571 0.0113979 -1.1859711 -90.80768 2241 -0.8120337 100 100 RAF1 RAF inhibitor 73707372
I-OMe-AG-538 HA1E trt_cp down -0.3008387 0.0004571 0.0113979 -1.1850176 -92.41410 2241 0.0000000 100 100 NA IGF-1 inhibitor NotFound
estradiol HA1E trt_cp down -0.3008067 0.0004571 0.0113979 -1.1848919 -92.68184 2241 0.0000000 100 100 ATP6; BECN1; BPNT1; CHRNA4; CYP2A6; CYP2B6; CYP2C8; CYP2E1; CYP3A5; CYP3A7; ESR1; ESR2; ESRRA; ESRRB; ESRRG; GPER1; HSD17B1; HSD17B11; HSD17B12; HSD17B2; HSD17B6; HSD17B7; HSD17B8; KCNMA1; NCOA2; NR1I2; SHBG; SULT1A1; SULT1E1; UGT1A1; UGT1A10; UGT1A3; UGT1A4; UGT1A5; UGT1A6; UGT1A7; UGT1A8; UGT1A9; UGT2A2; UGT2A3; UGT2B10; UGT2B11; UGT2B15; UGT2B17; UGT2B4; UGT2B7 Contraceptive agent; Estrogen receptor agonist 5757
tetrabenazine HA1E trt_cp down -0.3007177 0.0004571 0.0113979 -1.1845413 -89.37974 2241 0.0000000 100 100 SLC18A1; SLC18A2 Vesicular monoamine transporter inhibitor 6018
BRD-K72676786 HA1E trt_cp down -0.2997524 0.0005021 0.0121903 -1.1807389 -91.43240 2241 0.0000000 100 100 NA NA 24747271
MNITMT HA1E trt_cp down -0.2978051 0.0006023 0.0138817 -1.1730685 -90.04909 2241 -1.0125093 100 100 NA Lymphocyte inhibitor 364622
fusaric-acid HA1E trt_cp down -0.2977094 0.0006023 0.0138817 -1.1726915 -83.98037 2241 0.0000000 100 100 DBH Dopamine beta hydroxylase inhibitor 3442
NAN-190 HA1E trt_cp down -0.2974432 0.0006601 0.0148120 -1.1716426 -80.81214 2241 0.0000000 100 100 ADRA1A; ADRA1B; ADRA1D; HTR1F Serotonin receptor agonist 4431
CITCO HA1E trt_cp down -0.2966581 0.0006601 0.0148120 -1.1685502 -85.49755 2241 0.0000000 100 100 NR1I3 CAR agonist 9600409
diloxanide HA1E trt_cp down -0.2964046 0.0007223 0.0158965 -1.1675516 -93.97590 2241 0.0000000 100 100 NA Protein synthesis inhibitor 11367
RU-28318 HA1E trt_cp down -0.2954013 0.0007895 0.0169704 -1.1635996 -90.80768 2241 -0.0195205 100 100 NR3C2 Cytochrome P450 inhibitor 3034004
MDM2-inhibitor HA1E trt_cp down -0.2939791 0.0008647 0.0181538 -1.1579976 -77.24230 2241 0.0000000 100 100 MDM2 MDM inhibitor 10022508
MRS-1754 HA1E trt_cp down -0.2938230 0.0008647 0.0181538 -1.1573828 -72.78001 2241 0.0000000 100 100 ADORA1; ADORA2A; ADORA2B; ADORA3 Adenosine receptor antagonist 6603931
PCA-4248 HA1E trt_cp down -0.2922859 0.0010317 0.0206316 -1.1513279 -81.88309 2241 -0.0245962 100 100 PTAFR Platelet activating factor receptor antagonist 4698
cabergoline HA1E trt_cp down -0.2893853 0.0013421 0.0251846 -1.1399022 -63.27532 2241 0.0000000 100 100 ADRA1A; ADRA1B; ADRA1D; ADRA2B; ADRA2C; ADRB1; ADRB2; DRD1; DRD3; DRD4; HTR1B; HTR1D; HTR2B; HTR7; PRL Dopamine receptor agonist 54746
BRD-K87657228 HA1E trt_cp down -0.2883665 0.0014655 0.0268314 -1.1358892 -88.66577 2241 0.0000000 100 100 NA NA 44229067
desipramine HA1E trt_cp down -0.2879277 0.0014655 0.0268314 -1.1341606 -79.16109 2241 0.0000000 100 100 ADRA1A; ADRA1B; ADRA1D; ADRA2B; ADRA2C; ADRB1; ADRB2; CHRM1; CHRM4; CHRM5; HRH1; SLC22A3; SLC6A2; SLC6A4; SMPD1; TH Tricyclic antidepressant 2995
UNC-0321 HA1E trt_cp down -0.2875181 0.0014655 0.0268314 -1.1325473 -89.02276 2241 -1.0674354 100 100 EHMT2 Histone lysine methyltransferase inhibitor 46901937
tetrahydrozoline HA1E trt_cp down -0.2874994 0.0015986 0.0287203 -1.1324736 -75.54663 2241 -0.0226495 100 100 NA NA 5419
RLM-2-12 HA1E trt_cp down -0.2873216 0.0015986 0.0287203 -1.1317733 -76.92994 2241 0.0000000 100 100 NA NA 1560402
ephedrine-(racemic) HA1E trt_cp down -0.2863582 0.0017460 0.0304175 -1.1279784 -87.99643 2241 0.0000000 100 100 NA NA NotFound
isogedunin HA1E trt_cp down -0.2859797 0.0017460 0.0304175 -1.1264877 -74.69880 2241 -0.0189040 100 100 NA HSP inhibitor 6708584
flavoxate HA1E trt_cp down -0.2859676 0.0017460 0.0304175 -1.1264397 -73.00312 2241 0.0000000 100 100 CHRM1 Acetylcholine receptor antagonist 3354
JAS07-010 HA1E trt_cp down -0.2855631 0.0017460 0.0304175 -1.1248465 -89.64748 2241 0.0000000 100 100 NA NA 24747180
isorotenone HA1E trt_cp down -0.2846129 0.0019031 0.0325014 -1.1211037 -67.29139 2241 0.6542596 100 100 MT-ND1 Mitochondrial complex I inhibitor; NADH-ubiquinone oxidoreductase (Complex I) inhibitor 6453092
BRD-K11533227 HA1E trt_cp down -0.2838189 0.0020710 0.0347611 -1.1179759 -92.14636 2241 0.0000000 100 100 NA NA NotFound
BRD-K25150581 HA1E trt_cp down -0.2834925 0.0022521 0.0369114 -1.1166902 -88.84427 2241 -0.0223338 100 100 NA NA 12179987
ML-9 HA1E trt_cp down -0.2814395 0.0026642 0.0419877 -1.1086034 -83.98037 2241 0.0000000 100 100 MLCK; PKA; PKC; TRPC6 Myosin light chain kinase inhibitor 108047
BRD-A74983348 HA1E trt_cp down -0.2811693 0.0026642 0.0419877 -1.1075393 -88.53191 2241 -0.0205063 100 100 NA NA 24747150
apigenin HA1E trt_cp down -0.2804468 0.0028932 0.0448427 -1.1046932 -79.47345 2241 0.0000000 100 100 AKR1B1; AR; CDK6; CFTR; CYP19A1; CYP1A2; CYP1B1; HSD17B1; MAOA; ODC1; TNKS2 Casein kinase inhibitor; Cell proliferation inhibitor; Cytochrome P450 inhibitor 5280443
VAMA-37 HA1E trt_cp down -0.2789875 0.0031381 0.0475647 -1.0989450 -79.91968 2241 -0.0215332 100 100 PRKDC DNA dependent protein kinase inhibitor NotFound
zolantidine HA1E trt_cp down -0.2788342 0.0031381 0.0475647 -1.0983410 -81.07988 2241 0.0000000 100 100 NA Histamine receptor antagonist 23640915
biochanin-a HA1E trt_cp down -0.2786473 0.0031381 0.0475647 -1.0976047 -73.49398 2241 0.0000000 100 100 NA Estrogen receptor agonist 5280373
DR-2313 HA1E trt_cp down -0.2785758 0.0031381 0.0475647 -1.0973232 -83.17715 2241 0.0000000 100 100 PARP1; PARP3 PARP inhibitor 135522417
isoflupredone-acetate HA1E trt_cp down -0.2781603 0.0034056 0.0505347 -1.0956865 -75.59125 2241 0.0000000 100 100 NA NA 224246
scandenin HA1E trt_cp down -0.2781371 0.0034056 0.0505347 -1.0955952 -65.86345 2241 -0.0109560 100 100 NA Plant compound with antimicrobial activity 634819
KU-0063794 HA1E trt_cp down -0.2741422 0.0046813 0.0645467 -1.0798590 -79.87506 2241 0.0000000 100 100 MTOR MTOR inhibitor 16736978
dihydroobliquin HA1E trt_cp down -0.2738348 0.0046813 0.0645467 -1.0786483 -85.14056 2241 0.0000000 100 100 NA NA NotFound
rotenonic-acid HA1E trt_cp down -0.2735611 0.0046813 0.0645467 -1.0775699 -79.60732 2241 0.0000000 100 100 NA Retinoid receptor antagonist 6708539
CGP-53353 HA1E trt_cp down -0.2717342 0.0054722 0.0725769 -1.0703737 -66.44355 2241 0.0000000 100 100 EGFR; PRKCB EGFR inhibitor; PKC inhibitor 6711154
BML-190 HA1E trt_cp down -0.2711717 0.0059111 0.0767804 -1.0681580 -81.74922 2241 0.0000000 100 100 CNR2 Cannabinoid receptor inverse agonist 2415
etomidate HA1E trt_cp down -0.2709351 0.0059111 0.0767804 -1.0672263 -85.58679 2241 -0.0252470 100 100 ADRA2B; CYP11B1; GABRA2; GABRA3; GABRA4; GABRA5; GABRA6; GABRB1; GABRB2; GABRB3; GABRD; GABRE; GABRG1; GABRG2; GABRG3; GABRP; GABRQ GABA receptor modulator 667484
BMS-191011 HA1E trt_cp down -0.2699256 0.0063767 0.0812889 -1.0632497 -84.15886 2241 0.0000000 100 100 KCNMA1 Potassium channel activator 10474339
BMY-7378 HA1E trt_cp down -0.2698047 0.0063767 0.0812889 -1.0627734 -76.66220 2241 0.0000000 100 100 ADRA1A; ADRA1B; ADRA1D Adrenergic receptor antagonist; Serotonin receptor antagonist 2419
bezafibrate HA1E trt_cp down -0.2686336 0.0068820 0.0858962 -1.0581605 -82.64168 2241 -0.3698204 100 100 APOA1; APOA2; APOB; APOE; CETP; CRAT; HBE1; HBG1; HBG2; HSD11B1; LPL; NR1I2; PPARA; PPARD; PPARG; RXRA; RXRB; RXRG; SERPINE1; UCP3 PPAR receptor agonist 39042
mebeverine HA1E trt_cp down -0.2682823 0.0074167 0.0907946 -1.0567768 -74.52030 2241 0.0000000 100 100 CHRM1; CHRM4; IL13 Acetylcholine receptor antagonist 4031
VER-155008 HA1E trt_cp down -0.2682609 0.0074167 0.0907946 -1.0566925 -76.88532 2241 -0.9234748 100 100 HSPA1A HSP inhibitor 25195348
thioridazine HA1E trt_cp down -0.2678815 0.0074167 0.0907946 -1.0551979 -70.81660 2241 -0.5629629 100 100 ADRA1A; ADRA1B; CHRNA7; DRD1; HRH1; HTR1E; HTR6; HTR7; KCNH2; MALT1 Dopamine receptor antagonist 5452
cyproterone HA1E trt_cp down -0.2674501 0.0079852 0.0957886 -1.0534985 -69.47791 2241 0.0000000 100 100 ADORA1; AR; ESR1 Androgen receptor antagonist; Progesterone receptor agonist; Testosterone receptor antagonist 5284537
BRD-K93443135 HA1E trt_cp down -0.2672973 0.0079852 0.0957886 -1.0528967 -86.16689 2241 0.0000000 100 100 NA NA 24747343
ramipril HA1E trt_cp down -0.2665285 0.0079852 0.0957886 -1.0498681 -87.77332 2241 -0.8640743 100 100 ACE; BDKRB1 ACE inhibitor 5362129
BRD-K78716413 HA1E trt_cp down -0.2639323 0.0099400 0.1130976 -1.0396419 -73.49398 2241 0.0000000 100 100 NA NA 952391
isamoltane HA1E trt_cp down -0.2638671 0.0099400 0.1130976 -1.0393848 -85.31905 2241 -0.9681760 100 100 NA NA 127404
ibuprofen-(S) HA1E trt_cp down -0.2638358 0.0099400 0.1130976 -1.0392617 -69.92414 2241 0.0000000 100 100 NA NA 39912
BRD-K35790918 HA1E trt_cp down -0.2628377 0.0106731 0.1191669 -1.0353303 -81.74922 2241 -0.0201702 100 100 NA NA 44142086
benzbromarone HA1E trt_cp down -0.2626466 0.0106731 0.1191669 -1.0345772 -76.79607 2241 -0.0175001 100 100 ABCC1; CYP2C9; SLC22A12 Chloride channel blocker 2333
nadolol HA1E trt_cp down -0.2613767 0.0122900 0.1329881 -1.0295751 -73.67247 2241 -0.9797385 100 100 ADRB1; ADRB2; ADRB3 Adrenergic receptor antagonist 39147
azacyclonol HA1E trt_cp down -0.2591518 0.0141064 0.1478394 -1.0208113 -74.07407 2241 0.0000000 100 100 HRH1 Histamine receptor antagonist 15723
SA-1459020 NKDBA trt_cp down -0.2581065 0.0150962 0.1559711 -1.1279419 NA 229 0.0000000 100 100 NA NA 54657758
mephenytoin HA1E trt_cp down -0.2575930 0.0150962 0.1559711 -1.0146710 -73.53860 2241 0.0000000 100 100 NR1I2; SCN5A Hydantoin antiepileptic 4060
BRD-K22006123 HA1E trt_cp down -0.2571970 0.0161437 0.1643551 -1.0131111 -64.74788 2241 -0.0169914 100 100 NA NA 24747212
ingenol NKDBA trt_cp down -0.2567362 0.0161437 0.1643551 -1.1219535 NA 229 1.3327851 100 100 PRKCE PKC activator 5225086
gavestinel HA1E trt_cp down -0.2565804 0.0161437 0.1643551 -1.0106822 -70.32575 2241 -1.0115660 100 100 GLRB; GRIN1; GRIN2A; GRIN2B; GRIN2C; GRIN2D; GRIN3A; GRIN3B Glutamate receptor antagonist 6450546
fluoxetine HA1E trt_cp down -0.2549330 0.0184416 0.1830059 -1.0041933 -70.95047 2241 0.0000000 100 100 ANO1; CHRNA2; CHRNA3; CHRNB4; CKS1B; CYP2C9; HTR2B; KCNH2; SLC6A4 Selective serotonin reuptake inhibitor (SSRI) 3386
BRD-A98200599 HA1E trt_cp down -0.2548393 0.0184416 0.1830059 -1.0038239 -68.45158 2241 0.8360076 100 100 NA NA 570188
m-3M3FBS HA1E trt_cp down -0.2545496 0.0184416 0.1830059 -1.0026828 -73.40473 2241 -0.0190523 100 100 PLCB2; PLCB3; PLCD1; PLCG1; PLCG2 NA 761523
L-152804 HA1E trt_cp down -0.2533643 0.0210094 0.2026674 -0.9980139 -74.38643 2241 0.0299340 100 100 NPY5R Neuropeptide receptor antagonist 3765615
phenamil HA1E trt_cp down -0.2530519 0.0210094 0.2026674 -0.9967832 -76.57296 2241 0.0000000 100 100 PKD2L1 TRPV antagonist 135403792
fluperlapine HA1E trt_cp down -0.2530496 0.0210094 0.2026674 -0.9967743 -74.74342 2241 0.0000000 100 100 HTR6; HTR7 Serotonin receptor antagonist 49381
thalidomide HA1E trt_cp down -0.2525612 0.0210094 0.2026674 -0.9948506 -61.53503 2241 0.0000000 100 100 CRBN; CYP1A2; CYP2B6; CYP3A5; DDB1; FGF2; FGFR2; IL10; NFKB1; ORM1; ORM2; TNF; VEGFA TNF production inhibitor 5426
formestane HA1E trt_cp down -0.2516842 0.0223871 0.2127860 -0.9913957 -50.02231 2241 0.0000000 100 100 CYP19A1 Aromatase inhibitor 44511091
mead-ethanolamide HA1E trt_cp down -0.2511724 0.0238390 0.2233076 -0.9893800 -70.05801 2241 0.0000000 100 100 NA Cannabinoid receptor agonist 16061185
napelline HA1E trt_cp down -0.2506752 0.0238390 0.2233076 -0.9874215 -53.90451 2241 -0.9893841 100 100 NA NA 441749
hexylresorcinol HA1E trt_cp down -0.2495058 0.0253670 0.2342779 -0.9828151 -75.50201 2241 0.0000000 100 100 TGM2; TOP1; TYR Local anesthetic 3610
trifluoperazine HA1E trt_cp down -0.2489444 0.0269838 0.2446862 -0.9806036 -62.29362 2241 -0.5453392 100 100 ABCG2; ADCY10; ADRA1A; ANXA7; CALM1; CALM2; CALM3; CALY; CAMK2A; DHCR24; DRD4; EBP; EBPL; HRH1; MYLK3; S100A4; SCN4A; SCN9A; SEC23IP; TNNC1 Dopamine receptor antagonist 5566
metergoline HA1E trt_cp down -0.2486521 0.0269838 0.2446862 -0.9794524 -64.39090 2241 0.0000000 100 100 HTR1B; HTR1D; HTR1E; HTR1F; HTR2B; HTR5A; HTR6; HTR7; SCN2A Dopamine receptor agonist; Serotonin receptor antagonist 28693
cinanserin HA1E trt_cp down -0.2477936 0.0286771 0.2570983 -0.9760707 -65.28336 2241 0.0000000 100 100 NA Serotonin receptor antagonist 5475158
rosuvastatin HA1E trt_cp down -0.2475109 0.0286771 0.2570983 -0.9749571 -51.22713 2241 0.0000000 100 100 APOB; CRP; HMGCR; SLCO1B1 HMGCR inhibitor 446157
BRD-K19433082 HA1E trt_cp down -0.2467438 0.0304564 0.2686991 -0.9719354 -61.13342 2241 0.0000000 100 100 NA NA 1999882
ergometrine HA1E trt_cp down -0.2460977 0.0323254 0.2815131 -0.9693905 -44.57831 2241 0.0000000 100 100 ADRA1A; HTR1E Adrenergic receptor agonist; Serotonin receptor agonist 3250
beta-CCP HA1E trt_cp down -0.2459065 0.0323254 0.2815131 -0.9686373 -67.91611 2241 0.0000000 100 100 GABRG2; IDO1 Indoleamine 2,3-dioxygenase inhibitor 123662
SANT-1 HA1E trt_cp down -0.2457189 0.0323254 0.2815131 -0.9678985 -58.14369 2241 -0.0267980 100 100 DHH; IHH; PTCH1; SMO Smoothened receptor antagonist 6878030
phenylalanyltyrosine HA1E trt_cp down -0.2452944 0.0342699 0.2938264 -0.9662260 -64.21241 2241 -0.9488708 100 100 NA NA 515709
BRD-K00640357 HA1E trt_cp down -0.2451780 0.0342699 0.2938264 -0.9657675 -53.32441 2241 0.0000000 100 100 NA NA 2941340
purmorphamine HA1E trt_cp down -0.2449103 0.0342699 0.2938264 -0.9647133 -60.06247 2241 0.0000000 100 100 DHH; IHH; PTCH1; SMO Smoothened receptor agonist 5284329
benzoxiquine HA1E trt_cp down -0.2433243 0.0384309 0.3144514 -0.9584659 -63.94467 2241 0.0000000 100 100 NA Anti-infective 6855
dihydrodeoxygedunin HA1E trt_cp down -0.2430582 0.0384309 0.3144514 -0.9574177 -53.05667 2241 -0.0191484 100 100 NTRK2 Growth factor receptor activator 6708636
BRD-K00863322 HA1E trt_cp down -0.2430488 0.0384309 0.3144514 -0.9573807 -73.00312 2241 0.0193688 100 100 NA NA 4675130
XE-991 HA1E trt_cp down -0.2422225 0.0406627 0.3144514 -0.9541257 -52.96743 2241 0.0000000 100 100 KCNQ1; KCNQ2; KCNQ3; KCNQ4; KCNQ5 Potassium channel blocker 656732
hyoscyamine HA1E trt_cp down -0.2419061 0.0406627 0.3144514 -0.9528796 -46.18474 2241 -0.2235319 100 100 CHRM1; CHRM4 Acetylcholine receptor antagonist 154417
BRD-K44878494 HA1E trt_cp down -0.2418530 0.0406627 0.3144514 -0.9526704 -68.04998 2241 -0.0172087 100 100 NA NA 24747232
BRD-K22587354 HA1E trt_cp down -0.2418296 0.0406627 0.3144514 -0.9525784 -80.36591 2241 -0.5621429 100 100 NA NA 71576776
JTE-013 HA1E trt_cp down -0.2418165 0.0406627 0.3144514 -0.9525267 -69.07631 2241 -0.7452711 100 100 P2RY10; S1PR2 Lysophospholipid receptor antagonist 10223146
6-benzylaminopurine HA1E trt_cp down -0.2412134 0.0429869 0.3144514 -0.9501508 -62.82909 2241 -0.0190030 100 100 NA Purinergic receptor activator 62389
sonidegib HA1E trt_cp down -0.2403316 0.0454073 0.3144514 -0.9466773 -69.87952 2241 -0.5220475 100 100 SMO NA 24775005
AZD-8055 HA1E trt_cp down -0.2400072 0.0454073 0.3144514 -0.9453998 -62.11513 2241 0.0000000 100 100 MTOR MTOR inhibitor 25262965
SA-427604 NKDBA trt_cp down -0.2398731 0.0454073 0.3144514 -1.0482606 NA 229 -0.7023346 100 100 NA NA 44620034
BRD-K48974000 HA1E trt_cp down -0.2398066 0.0454073 0.3144514 -0.9446096 -58.81303 2241 0.0000000 100 100 NA NA 1398345
LFM-A13 HA1E trt_cp down -0.2393452 0.0479389 0.3144514 -0.9427920 -62.24900 2241 0.0000000 100 100 BTK BTK inhibitor 9906875
evoxine HA1E trt_cp down -0.2389327 0.0479389 0.3144514 -0.9411673 -55.24320 2241 0.0000000 100 100 NA Furoquinoline alkaloid 673465
BRD-K06956503 HA1E trt_cp down -0.2383153 0.0505539 0.3144514 -0.9387351 -59.12539 2241 0.0000000 100 100 NA NA 44820570
SA-419083 NKDBA trt_cp down -0.2380175 0.0505539 0.3144514 -1.0401518 NA 229 0.0000000 100 100 NA NA 44505047
meclizine HA1E trt_cp down -0.2375315 0.0505539 0.3144514 -0.9356478 -63.18608 2241 0.0000000 100 100 NR1I3 NA 92303
BRD-K42867405 HA1E trt_cp down -0.2372776 0.0532625 0.3144514 -0.9346476 -60.15172 2241 -0.0186930 100 100 NA NA 2482839
pifithrin-mu HA1E trt_cp down -0.2367949 0.0532625 0.3144514 -0.9327464 -48.54975 2241 0.0000000 100 100 HSPA1A; TP53 HSP inhibitor 327653
AMN-082 HA1E trt_cp down -0.2361159 0.0560729 0.3144514 -0.9300718 -43.64123 2241 0.0000000 100 100 GRM7 Glutamate receptor modulator; Glutamate receptor positive allosteric modulator 1894361
eicosadienoic-acid HA1E trt_cp down -0.2345415 0.0589969 0.3144514 -0.9238700 -71.75368 2241 -0.0184774 100 100 NA NA 6439848
mefexamide HA1E trt_cp down -0.2342915 0.0620255 0.3144514 -0.9228852 -48.68362 2241 -0.0268487 100 100 NA Psychoactive drug 4045
IBC-293 HA1E trt_cp down -0.2336145 0.0620255 0.3144514 -0.9202184 -58.94690 2241 0.0000000 100 100 HCAR3 Hydroxycarboxylic acid receptor agonist 2736690
fipronil HA1E trt_cp down -0.2334642 0.0651636 0.3144514 -0.9196266 -67.02365 2241 0.0000000 100 100 GABRB3 Chloride channel blocker; GABA gated chloride channel blocker 3352
digoxigenin HA1E trt_cp down -0.2333730 0.0651636 0.3144514 -0.9192672 -53.05667 2241 -0.0275780 100 100 ATP1A1 Steroid 15478
serdemetan HA1E trt_cp down -0.2332434 0.0651636 0.3144514 -0.9187566 -50.20080 2241 0.0000000 100 100 MDM2 MDM inhibitor 60167550
clomipramine HA1E trt_cp down -0.2327429 0.0651636 0.3144514 -0.9167853 -54.35074 2241 0.0000000 100 100 HTR2B; SLC6A2; SLC6A3; SLC6A4 Serotonin transporter inhibitor (SERT) 2801
BRD-K07668032 HA1E trt_cp down -0.2322487 0.0684082 0.3144514 -0.9148387 -51.94110 2241 0.0201934 100 100 NA NA 3234850
adipiodone HA1E trt_cp down -0.2314545 0.0717490 0.3144514 -0.9117104 -54.88621 2241 0.0000000 100 100 ALB Contrast agent 3739
BRD-K99737413 HA1E trt_cp down -0.2312035 0.0717490 0.3144514 -0.9107213 -71.44132 2241 0.0000000 100 100 NA NA 44607577
L-803087 HA1E trt_cp down -0.2311271 0.0717490 0.3144514 -0.9104207 -73.89558 2241 0.0000000 100 100 SSTR4 Somatostatin receptor agonist 9805390
BRD-K87964538 HA1E trt_cp down -0.2311171 0.0717490 0.3144514 -0.9103813 -62.91834 2241 0.0000000 100 100 NA NA 665518
temefos HA1E trt_cp down -0.2303000 0.0751866 0.3144514 -0.9071626 -50.60241 2241 0.0000000 100 100 NA Cholinesterase inhibitor 5392
methoxsalen HA1E trt_cp down -0.2302008 0.0751866 0.3144514 -0.9067717 -66.97903 2241 -0.0129298 100 100 ACHE; CYP1A2 DNA synthesis inhibitor 4114
luzindole HA1E trt_cp down -0.2298982 0.0751866 0.3144514 -0.9055800 -60.24096 2241 0.0000000 100 100 MTNR1A; MTNR1B Melatonin receptor antagonist 122162
PCO-400 HA1E trt_cp down -0.2297113 0.0751866 0.3144514 -0.9048434 -57.02811 2241 0.0000000 100 100 ABCC9; KCNJ8 Potassium channel activator 129348
BRD-K45355657 HA1E trt_cp down -0.2294729 0.0787550 0.3144514 -0.9039046 -43.64123 2241 0.0000000 100 100 NA NA 23648024
KN-93 HA1E trt_cp down -0.2282534 0.0823825 0.3144514 -0.8991007 -49.93307 2241 0.0000000 100 100 CAMK2A Calcium-calmodulin dependent protein kinase inhibitor 5312122
LY-456236 HA1E trt_cp down -0.2264400 0.0899926 0.3144514 -0.8919577 -60.10710 2241 -0.5402817 100 100 GRM1 Glutamate receptor antagonist 9926999
alfadolone-acetate HA1E trt_cp down -0.2259242 0.0899926 0.3144514 -0.8899260 -60.33021 2241 0.0000000 100 100 NA NA 24733
candesartan-cilextil HA1E trt_cp down -0.2244334 0.0979693 0.3144514 -0.8840539 -58.58992 2241 0.0000000 100 100 NA NA 2540
BRD-K01121114 HA1E trt_cp down -0.2244025 0.0979693 0.3144514 -0.8839322 -54.03838 2241 0.0000000 100 100 NA NA 49843203
SKF-86002 HA1E trt_cp down -0.2243121 0.0979693 0.3144514 -0.8835757 -44.22133 2241 0.0000000 100 100 ALOX5; MAPK14 p38 MAPK inhibitor 5228
SIB-1893 HA1E trt_cp down -0.2231508 0.1020951 0.3144514 -0.8790017 -57.25123 2241 0.3244294 100 100 GRM4; GRM5 Glutamate receptor antagonist 5311432
DAPT-GSI-IX HA1E trt_cp down -0.2220688 0.1063172 0.3144514 -0.8747395 -52.25346 2241 0.0000000 100 100 NA Gamma secretase inhibitor NotFound
BRD-K28366444 HA1E trt_cp down -0.2218061 0.1063172 0.3144514 -0.8737047 -66.80054 2241 -0.0174741 100 100 NA NA 3234518
dicyclohexylurea HA1E trt_cp down -0.2215240 0.1063172 0.3144514 -0.8725936 -47.21107 2241 -0.9256587 100 100 EPHX2 Epoxide hydolase inhibitor 4277
BRD-K77432048 HA1E trt_cp down -0.2213094 0.1106222 0.3144514 -0.8717480 -36.63543 2241 -1.0116209 100 100 NA NA 704129
rimcazole HA1E trt_cp down -0.2212547 0.1106222 0.3144514 -0.8715326 -49.26372 2241 0.0000000 100 100 SIGMAR1 Sigma receptor antagonist 5072
benzanthrone HA1E trt_cp down -0.2201718 0.1150293 0.3144514 -0.8672672 -49.62071 2241 -0.0086727 100 100 NA Aromatic hydrocarbon derivative 6697
BRD-K27074404 HA1E trt_cp down -0.2197446 0.1150293 0.3144514 -0.8655843 -59.57162 2241 -0.6659843 100 100 NA NA 7211972
AS-605240 HA1E trt_cp down -0.2190472 0.1195050 0.3144514 -0.8628373 -33.95805 2241 -0.8008980 100 100 MAOB; PIK3CA; PIK3CB; PIK3CD; PIK3CG PI3K inhibitor 10377751
SA-96816 NKDBA trt_cp down -0.2189733 0.1195050 0.3144514 -0.9569272 NA 229 -0.6411412 100 100 NA NA 44494782
hydrocotarnine HA1E trt_cp down -0.2188820 0.1195050 0.3144514 -0.8621865 -50.95939 2241 -0.0172437 100 100 NA Opioid receptor antagonist 3646
laudanosine HA1E trt_cp down -0.2181108 0.1240573 0.3144514 -0.8591487 -51.40562 2241 -0.0171830 100 100 NA Central nervous system agent 15548
fludroxycortide HA1E trt_cp down -0.2178648 0.1240573 0.3144514 -0.8581798 -49.79920 2241 -0.8323914 100 100 NR3C1; SERPINA6 Glucocorticoid receptor agonist 5702172
BRD-K18953385 HA1E trt_cp down -0.2172959 0.1286736 0.3144514 -0.8559389 -55.77867 2241 0.0000000 100 100 NA NA 2160985
BRD-K93975822 HA1E trt_cp down -0.2169055 0.1286736 0.3144514 -0.8544010 -49.04061 2241 0.0136580 100 100 NA NA 44142065
SC-560 HA1E trt_cp down -0.2160527 0.1333588 0.3144514 -0.8510417 -42.97189 2241 0.0000000 100 100 NA Cyclooxygenase inhibitor 4306515
delcorine HA1E trt_cp down -0.2148330 0.1381184 0.3144514 -0.8462375 -36.54618 2241 -0.7021357 100 100 NA Antiarrhythmic; Ganglionic blocker 441724
BRD-K32862555 HA1E trt_cp down -0.2145686 0.1381184 0.3144514 -0.8451959 -46.89871 2241 0.0000000 100 100 NA NA 1580719
tropicamide HA1E trt_cp down -0.2145257 0.1381184 0.3144514 -0.8450269 -48.19277 2241 0.0000000 100 100 CHRM1; CHRM4 Acetylcholine receptor antagonist 5593
PK-11195 HA1E trt_cp down -0.2133460 0.1477536 0.3144514 -0.8403798 -32.93173 2241 0.0000000 100 100 NR1I2; NR1I3; TSPO Benzodiazepine receptor antagonist 1345
ditolylguanidine HA1E trt_cp down -0.2130770 0.1477536 0.3144514 -0.8393202 -38.91120 2241 0.0000000 100 100 GRIN1; GRIN2A; GRIN2B; SIGMAR1 Sigma receptor agonist 7333
BRD-K25522720 HA1E trt_cp down -0.2125161 0.1477536 0.3144514 -0.8371108 -43.77510 2241 0.0000000 100 100 NA NA 1400698
altanserin HA1E trt_cp down -0.2121258 0.1526432 0.3144514 -0.8355736 -43.99822 2241 0.0000000 100 100 NA Serotonin receptor antagonist 3033677
MAPP-D-erythro HA1E trt_cp down -0.2120605 0.1526432 0.3144514 -0.8353163 -46.31861 2241 0.0000000 100 100 NA Ceramidase inhibitor 124735
BRD-K03552198 HA1E trt_cp down -0.2098180 0.1625104 0.3144514 -0.8264832 -46.76484 2241 -0.0165297 100 100 NA NA 1562008
AM-92016 HA1E trt_cp down -0.2093358 0.1674784 0.3144514 -0.8245837 -35.25212 2241 0.0000000 100 100 GRIN1; GRIN2B Potassium channel blocker 133104
benzamil HA1E trt_cp down -0.2087232 0.1674784 0.3144514 -0.8221704 -33.91343 2241 0.0000000 100 100 ASIC1; PKD2L1; SCNN1A; SCNN1B; SCNN1D; SCNN1G; SLC8A1 Sodium channel blocker 108107
GW-6471 HA1E trt_cp down -0.2084691 0.1724645 0.3144514 -0.8211697 -45.87238 2241 0.0000000 100 100 PPARA PPAR receptor antagonist 44634742
BRD-A43126523 HA1E trt_cp down -0.2083079 0.1724645 0.3144514 -0.8205348 -36.50156 2241 0.0000000 100 100 NA NA 44142346
diclofenamide HA1E trt_cp down -0.2075989 0.1724645 0.3144514 -0.8177420 -39.58054 2241 -0.0245323 100 100 CA1; CA12; CA3; CA4; CA7 Carbonic anhydrase inhibitor 3038
strychnine HA1E trt_cp down -0.2069704 0.1774600 0.3144514 -0.8152661 -46.36323 2241 0.0000000 100 100 CHRM1; CHRM4; CHRM5; CHRNA10; CHRNA9; GLRA1; GLRA2; GLRA3; GLRB Acetylcholine receptor antagonist 441071
BRD-K05153001 HA1E trt_cp down -0.2060520 0.1824439 0.3144514 -0.8116484 -34.40428 2241 0.0000000 100 100 NA NA 665013
carbofuran HA1E trt_cp down -0.2058178 0.1824439 0.3144514 -0.8107260 -38.37573 2241 -0.0239840 100 100 NA Cholinesterase inhibitor 2566
isonicotinohydroxamic-acid HA1E trt_cp down -0.2056327 0.1824439 0.3144514 -0.8099969 -55.06470 2241 0.0000000 100 100 NA NA 72967
Ro-04-6790 HA1E trt_cp down -0.2049645 0.1874233 0.3144514 -0.8073648 -33.02097 2241 0.0000000 100 100 HTR6 Serotonin receptor antagonist 5312145
tyrphostin-AG-556 HA1E trt_cp down -0.2040288 0.1923823 0.3144514 -0.8036791 -30.92369 2241 0.0254158 100 100 EGFR EGFR inhibitor 2059
vanoxerine HA1E trt_cp down -0.2024406 0.2022059 0.3144514 -0.7974231 -38.64346 2241 0.0000000 100 100 MAOA; MAOB; SLC6A3 Dopamine uptake inhibitor 10238982
SA-1458163 NKDBA trt_cp down -0.2024374 0.2022059 0.3144514 -0.8846642 NA 229 -0.5927250 100 100 NA NA 54658692
BRD-K27440500 HA1E trt_cp down -0.2023484 0.2022059 0.3144514 -0.7970598 -46.09549 2241 0.0000000 100 100 NA NA 44142064
diphenidol HA1E trt_cp down -0.2016603 0.2022059 0.3144514 -0.7943492 -37.30477 2241 0.0000000 100 100 CHRM1; CHRM4 Acetylcholine receptor agonist 3055
CFM-1571 HA1E trt_cp down -0.2010392 0.2070626 0.3144514 -0.7919030 -40.87461 2241 0.0000000 100 100 NA Guanylate cyclase activator 9844347
BRD-A25829966 HA1E trt_cp down -0.1984848 0.2213004 0.3144514 -0.7818408 -45.02454 2241 -0.7839504 100 100 NA NA 44537690
PI-828 HA1E trt_cp down -0.1978756 0.2213004 0.3144514 -0.7794413 -33.86881 2241 0.0000000 100 100 NA PI3K inhibitor 25181195
zacopride HA1E trt_cp down -0.1972081 0.2259079 0.3144514 -0.7768120 -38.95582 2241 -0.7601136 100 100 HTR3A; HTR3B; HTR3C; HTR3D; HTR3E; HTR4; HTR5A Serotonin receptor antagonist 108182
O-1918 HA1E trt_cp down -0.1965348 0.2259079 0.3144514 -0.7741600 -32.35163 2241 0.0244772 100 100 NA Cannabinoid receptor antagonist 40469923
BRD-K85051645 HA1E trt_cp down -0.1959166 0.2304177 0.3144514 -0.7717246 -40.29451 2241 -0.0154345 100 100 NA NA 56643193
tyrphostin-AG-538 HA1E trt_cp down -0.1956866 0.2304177 0.3144514 -0.7708189 -35.60910 2241 0.0000000 100 100 EGFR IGF-1 inhibitor 5328760
nitrendipine HA1E trt_cp down -0.1953174 0.2348545 0.3144514 -0.7693646 -40.20527 2241 0.0000000 100 100 CACNA1C; CACNA1D; CACNA1H; CACNA1S; CACNA2D1; CACNA2D2; CACNB2; CACNG1; KCNN4 Calcium channel blocker 4507
BRD-K70229243 HA1E trt_cp down -0.1950200 0.2348545 0.3144514 -0.7681929 -35.60910 2241 -0.0153639 100 100 NA NA 24747148
BRL-50481 HA1E trt_cp down -0.1938691 0.2391936 0.3144514 -0.7636596 -35.78759 2241 0.0000000 100 100 PDE7A; PDE7B Phosphodiesterase inhibitor 2921148
brefeldin-a HA1E trt_cp down -0.1937467 0.2391936 0.3144514 -0.7631774 -32.21776 2241 0.0000000 100 100 ARF1; ARFGEF1; ARFGEF2; CYTH2; GBF1; SAR1A Brefeldin A inhibited guanine nucleotide exchange protein inhibitor; Golgi-specific brefeldin A-resistance guanine nucleotide exchange factor inhibitor; Protein synthesis inhibitor 5287620
BRD-K24925364 HA1E trt_cp down -0.1936492 0.2391936 0.3144514 -0.7627932 -33.24409 2241 -0.0152559 100 100 NA NA 6622773
rizatriptan HA1E trt_cp down -0.1911486 0.2515630 0.3144514 -0.7529432 -30.87907 2241 -0.0225883 100 100 HTR1B; HTR1D; HTR1E; HTR1F Serotonin receptor agonist 5078
PQ-401 HA1E trt_cp down -0.1901357 0.2554585 0.3144514 -0.7489533 -27.71084 2241 0.0000000 100 100 IGF1R IGF-1 inhibitor; IGF-1R inhibitor 9549305
GR-144053 HA1E trt_cp down -0.1887920 0.2592165 0.3144514 -0.7436605 -48.90674 2241 0.0000000 100 100 ITGA2B; ITGB3 Integrin antagonist 173614
HA-1004 HA1E trt_cp down -0.1882436 0.2628384 0.3144514 -0.7415005 -28.96029 2241 0.0000000 100 100 NA Calcium channel blocker 3546
LY-294002 NKDBA trt_cp down -0.1876634 0.2628384 0.3144514 -0.8201008 NA 229 0.0000000 100 100 AKT1; CHEK1; GSK3B; LCK; MAPK11; MAPK12; MAPK14; MAPK8; MTOR; PDE2A; PIK3CA; PIK3CB; PIK3CD; PIK3CG; PIM1; PLK1; PRKCA; PRKDC; ROCK1; RPS6KB1; SGK1 DNA dependent protein kinase inhibitor; MTOR inhibitor; Phosphodiesterase inhibitor; PI3K inhibitor; PLK inhibitor 3973
RS-102895 HA1E trt_cp down -0.1873888 0.2663461 0.3144514 -0.7381334 -36.76930 2241 -0.7424765 100 100 CCR2 CCR antagonist 10000456
docosatrienoic-acid HA1E trt_cp down -0.1872494 0.2663461 0.3144514 -0.7375843 -28.78179 2241 0.0000000 100 100 NA LTB4 inhibitor 5312557
citalopram HA1E trt_cp down -0.1864800 0.2697161 0.3144514 -0.7345534 -38.37573 2241 -0.0146911 100 100 SLC6A2; SLC6A4 Serotonin reuptake inhibitor 2771
hydrastine-(1r,-9s) HA1E trt_cp down -0.1857524 0.2697161 0.3144514 -0.7316875 -32.30701 2241 0.0000000 100 100 NA NA 197834
FR-122047 HA1E trt_cp down -0.1823041 0.2817278 0.3144514 -0.7181044 -30.34360 2241 0.0000000 100 100 NA Cyclooxygenase inhibitor 196841
BRD-A56831909 HA1E trt_cp down -0.1782509 0.2914100 0.3144514 -0.7021386 -30.87907 2241 0.0158697 100 100 NA NA 44142078
BRD-K63770300 HA1E trt_cp down -0.1708429 0.3031937 0.3144514 -0.6729583 -28.64793 2241 -0.0134592 100 100 NA NA 56643207
olvanil HA1E trt_cp down -0.1698208 0.3043983 0.3144514 -0.6689323 -22.35609 2241 0.0000000 100 100 CNR1; GPR119; TRPV1 TRPV agonist 5808649
asiatic-acid HA1E trt_cp down -0.1663803 0.3082453 0.3144514 -0.6553800 -30.03124 2241 0.0000000 100 100 PYGM Apoptosis stimulant 119034

Save gess and filtered gess result

Compare datasets

Dimensions

dim(gess_kidneycells_39)
## [1] 328  16
dim(gess_kidneycells_56)
## [1] 316  16
dim(gess_kidneycells_19)
## [1] 230  16

Drug overlaps

overlap_39_56 <- dplyr::intersect(gess_kidneycells_39$pert, gess_kidneycells_56$pert) 

overlap_39_19 <- dplyr::intersect(gess_kidneycells_39$pert, gess_kidneycells_19$pert) 

overlap_56_19 <- dplyr::intersect(gess_kidneycells_56$pert, gess_kidneycells_19$pert) 

Number of drug overlaps

length(overlap_39_56)
## [1] 68
length(overlap_39_19)
## [1] 53
length(overlap_56_19)
## [1] 102

SignatureSearch Plots

bggenes <- read.csv(file = here("data", "background_genelist_genestoLINCSgenes.csv"), row.names = 1)
#KEGG enrichment based on hypergeometric test
kegg_39 <- enrichKEGG2(gene = as.character(c(hom_degs_UP$entrezgene_id, hom_degs_DOWN$entrezgene_id)), universe = bggenes$entrezgene_id)
## Reading KEGG annotation online:
## 
## Reading KEGG annotation online:
moa_39 <- enrichMOA(gene = as.character(c(hom_degs_UP$entrezgene_id, hom_degs_DOWN$entrezgene_id)))

TSEA

Target Set Enrichment Analysis. Uses target protein, cellular networks and pathways affected by the top ranking drugs

’39 TSEA

#target set enrichment analysis TSEA, looks at target proteins for the drugs and thedrug MOA's or protein family domains
tsea_GO_39 <- tsea_dup_hyperG(drugs = gess_kidneycells_39$pert[1:100], universe = "Default", type = "GO", ont="MF", pvalueCutoff=0.05, pAdjustMethod="BH")
## No targets found in all databases for 41 drugs: 
## sa-1919710 / brd-k60870698 / brd-a47816767 / brd-k92317137 / chembl-399379 / sa-1459854 / sa-1922659 / rhodomyrtoxin-b / mw-stk33-2a / brd-k73610817 / brd-k05153001 / sa-1458163 / jak3-inhibitor-vi / brd-k21064560 / pci-24781 / sa-1459234 / bay-11-7082 / chlorambucil / sa-84869 / brd-k67774729 / brd-k11533227 / er-27319 / fccp / cercosporin / mitomycin-c / sa-425500 / wr-216174 / brd-k07079548 / brd-k01121114 / sa-1921574 / isonicotinohydroxamic-acid / chelidonine / sa-1919877 / chlorphenesin-carbamate / sulconazole / brd-k48974000 / bl003-049-hdac3 / brd-k19876534 / brd-k26767475 / sa-427604 / sa-1920013
## Loading required package: org.Hs.eg.db
## Loading required package: AnnotationDbi
## 
tsea_KEGG_39 <- tsea_dup_hyperG(drugs = gess_kidneycells_39$pert[1:50], universe = "Default", type = "KEGG", pvalueCutoff=0.05, pAdjustMethod="BH")
## No targets found in all databases for 19 drugs: 
## sa-1919710 / brd-k60870698 / brd-a47816767 / brd-k92317137 / chembl-399379 / sa-1459854 / sa-1922659 / rhodomyrtoxin-b / mw-stk33-2a / brd-k73610817 / brd-k05153001 / sa-1458163 / jak3-inhibitor-vi / brd-k21064560 / pci-24781 / sa-1459234 / bay-11-7082 / chlorambucil / sa-84869
dtnetplot(drugs = drugs(tsea_KEGG_39), set = "hsa04024", ont = "MF", desc="cAMP signaling pathway")
## No targets found in all databases for 19 drugs: 
## sa-1919710 / brd-k60870698 / brd-a47816767 / brd-k92317137 / chembl-399379 / sa-1459854 / sa-1922659 / rhodomyrtoxin-b / mw-stk33-2a / brd-k73610817 / brd-k05153001 / sa-1458163 / jak3-inhibitor-vi / brd-k21064560 / pci-24781 / sa-1459234 / bay-11-7082 / chlorambucil / sa-84869
dtnetplot(drugs = drugs(tsea_KEGG_39), set = "hsa04750", ont = "MF", desc="Inflammatory mediator regulation of TRP channels")
## No targets found in all databases for 19 drugs: 
## sa-1919710 / brd-k60870698 / brd-a47816767 / brd-k92317137 / chembl-399379 / sa-1459854 / sa-1922659 / rhodomyrtoxin-b / mw-stk33-2a / brd-k73610817 / brd-k05153001 / sa-1458163 / jak3-inhibitor-vi / brd-k21064560 / pci-24781 / sa-1459234 / bay-11-7082 / chlorambucil / sa-84869

Save TSEA tables

’56 TSEA

tsea_GO_56 <- tsea_dup_hyperG(drugs = gess_kidneycells_56$pert[1:30], universe = "Default", type = "GO", ont="MF", pvalueCutoff=0.05, pAdjustMethod="BH")
## No targets found in all databases for 9 drugs: 
## psh-024 / sa-1472734 / carbofuran / nsc-23766 / md-920 / tetrahydrozoline / brd-k49814456 / brd-k42867405 / brd-k87964538
tsea_KEGG_56 <- tsea_dup_hyperG(drugs = gess_kidneycells_56$pert[1:30], universe = "Default", type = "KEGG", pvalueCutoff=0.05, pAdjustMethod="BH")
## No targets found in all databases for 9 drugs: 
## psh-024 / sa-1472734 / carbofuran / nsc-23766 / md-920 / tetrahydrozoline / brd-k49814456 / brd-k42867405 / brd-k87964538
dtnetplot(drugs = drugs(tsea_GO_56), set = "GO:0004708", ont = "MF", desc="MAP kinase kinase activity")
## Warning: Corrupt Cache: resource path
##   See AnnotationHub's TroubleshootingTheCache vignette section on corrupt cache
##   cache: /Users/eramsey/Library/Caches/org.R-project.R/R/ExperimentHub
##   potential duplicate files: 
##     addd1a0dac73_3239
##     b0985fb609b3_3239
##     addd77b4bf61_3240
##     b09830caa124_3240
##     16e619159954_3245
##     3d353d854ef2_3245
## Continuing with first found cached file

## Warning: Corrupt Cache: resource path
##   See AnnotationHub's TroubleshootingTheCache vignette section on corrupt cache
##   cache: /Users/eramsey/Library/Caches/org.R-project.R/R/ExperimentHub
##   potential duplicate files: 
##     addd1a0dac73_3239
##     b0985fb609b3_3239
##     addd77b4bf61_3240
##     b09830caa124_3240
##     16e619159954_3245
##     3d353d854ef2_3245
## Continuing with first found cached file
## No targets found in all databases for 9 drugs: 
## psh-024 / sa-1472734 / carbofuran / nsc-23766 / md-920 / tetrahydrozoline / brd-k49814456 / brd-k42867405 / brd-k87964538
dtnetplot(drugs = drugs(tsea_GO_56), set = "GO:0016712", ont = "MF", desc="oxidoreductase activity, acting on paired donors,")
## No targets found in all databases for 9 drugs: 
## psh-024 / sa-1472734 / carbofuran / nsc-23766 / md-920 / tetrahydrozoline / brd-k49814456 / brd-k42867405 / brd-k87964538
dtnetplot(drugs = drugs(tsea_GO_56), set = "GO:0005262", ont = "MF", desc="calcium channel activity")
## No targets found in all databases for 9 drugs: 
## psh-024 / sa-1472734 / carbofuran / nsc-23766 / md-920 / tetrahydrozoline / brd-k49814456 / brd-k42867405 / brd-k87964538
dtnetplot(drugs = drugs(tsea_KEGG_56), set = "hsa04657", desc="IL-17 signaling pathway")
## No targets found in all databases for 9 drugs: 
## psh-024 / sa-1472734 / carbofuran / nsc-23766 / md-920 / tetrahydrozoline / brd-k49814456 / brd-k42867405 / brd-k87964538

Save TSEA tables

’19 TSEA

tsea_GO_19 <- tsea_dup_hyperG(drugs = gess_kidneycells_19$pert[1:30], universe = "Default", type = "GO", ont="MF", pvalueCutoff=0.05, pAdjustMethod="BH")
## No targets found in all databases for 8 drugs: 
## etifenin / brd-k67941506 / indirubin-3-monoxime / brd-k78797196 / bisacodyl / ucl-2077 / brd-k21640605 / iopanoic-acid
tsea_KEGG_19 <- tsea_dup_hyperG(drugs = gess_kidneycells_19$pert[1:30], universe = "Default", type = "KEGG", pvalueCutoff=0.05, pAdjustMethod="BH")
## No targets found in all databases for 8 drugs: 
## etifenin / brd-k67941506 / indirubin-3-monoxime / brd-k78797196 / bisacodyl / ucl-2077 / brd-k21640605 / iopanoic-acid
dtnetplot(drugs = drugs(tsea_GO_19), set = "GO:0051117", ont = "MF", desc="ATPase binding")
## Warning: Corrupt Cache: resource path
##   See AnnotationHub's TroubleshootingTheCache vignette section on corrupt cache
##   cache: /Users/eramsey/Library/Caches/org.R-project.R/R/ExperimentHub
##   potential duplicate files: 
##     addd1a0dac73_3239
##     b0985fb609b3_3239
##     addd77b4bf61_3240
##     b09830caa124_3240
##     16e619159954_3245
##     3d353d854ef2_3245
## Continuing with first found cached file

## Warning: Corrupt Cache: resource path
##   See AnnotationHub's TroubleshootingTheCache vignette section on corrupt cache
##   cache: /Users/eramsey/Library/Caches/org.R-project.R/R/ExperimentHub
##   potential duplicate files: 
##     addd1a0dac73_3239
##     b0985fb609b3_3239
##     addd77b4bf61_3240
##     b09830caa124_3240
##     16e619159954_3245
##     3d353d854ef2_3245
## Continuing with first found cached file
## No targets found in all databases for 8 drugs: 
## etifenin / brd-k67941506 / indirubin-3-monoxime / brd-k78797196 / bisacodyl / ucl-2077 / brd-k21640605 / iopanoic-acid
dtnetplot(drugs = drugs(tsea_GO_19), set = "GO:0051117", ont = "MF", desc="ATPase binding")
## Warning: Corrupt Cache: resource path
##   See AnnotationHub's TroubleshootingTheCache vignette section on corrupt cache
##   cache: /Users/eramsey/Library/Caches/org.R-project.R/R/ExperimentHub
##   potential duplicate files: 
##     addd1a0dac73_3239
##     b0985fb609b3_3239
##     addd77b4bf61_3240
##     b09830caa124_3240
##     16e619159954_3245
##     3d353d854ef2_3245
## Continuing with first found cached file

## Warning: Corrupt Cache: resource path
##   See AnnotationHub's TroubleshootingTheCache vignette section on corrupt cache
##   cache: /Users/eramsey/Library/Caches/org.R-project.R/R/ExperimentHub
##   potential duplicate files: 
##     addd1a0dac73_3239
##     b0985fb609b3_3239
##     addd77b4bf61_3240
##     b09830caa124_3240
##     16e619159954_3245
##     3d353d854ef2_3245
## Continuing with first found cached file
## No targets found in all databases for 8 drugs: 
## etifenin / brd-k67941506 / indirubin-3-monoxime / brd-k78797196 / bisacodyl / ucl-2077 / brd-k21640605 / iopanoic-acid

Save TSEA tables

#####Plots TSEA

Read back in

tsea_GO_39 <- read.csv(file = here("res", "sigsearch_outputs", "tsea_go_39.csv"), row.names = 1)

DSEA

dsea_39 <- dsea_hyperG(
  drugs = gess_kidneycells_39$pert[1:100],
  type = "GO",
  ont = "MF",
  pvalueCutoff = 0.05,
  pAdjustMethod = "BH",
  qvalueCutoff = 0.2,
  minGSSize = 10,
  maxGSSize = 500
)
write.csv(dsea_39@result, file = here("res", "sigsearch_outputs", "dsea_39.csv"))

dsea_39 <- read.csv(file = here("res", "sigsearch_outputs", "dsea_39.csv"))

Drug Annotations

LINCS Drug Repurposing Hub, contains drug names, MOAs, original indications, and targets

repurpHub <- read.delim(here("data", "Repurposing_Hub_export.txt"))

rHub_19 <- dplyr::inner_join(gess_kidneycells_19, repurpHub, by= c("pert" = "Name"))

rHub_56 <- dplyr::inner_join(gess_kidneycells_56, repurpHub, by= c("pert" = "Name"))

rHub_39 <- dplyr::inner_join(gess_kidneycells_39, repurpHub, by= c("pert" = "Name"))

P70/’39 Already-Launched Drugs

rhub_launched_39 <- dplyr::filter(rHub_39, Phase == "Launched")

write.csv(rhub_launched_39, file = here("res", "sigsearch_outputs", "rhub_launcheddrugs_39.csv"))

Alluvial plot of drugs-targets with just launched drugs

rhub_launched_39_top30 <- dplyr::slice_min(rhub_launched_39, order_by = Tau, n = 20)

rhub_launched_39_top_septarget <- tidyr::separate_rows(rhub_launched_39_top30, Target, sep = ", ")
#remove drugs with empty 'target' field
rhub_launched_39_top_septarget <- dplyr::filter(rhub_launched_39_top_septarget, Target != "")

plot

target_alluvial <- ggplot(data = rhub_launched_39_top_septarget,
       aes(axis1 = pert, axis2 = Target)) +
  geom_alluvium(color = "black", aes(fill = WTCS)) + # , colour = trend)) + 
  geom_stratum(width = 3/12, color = "black") + #the border of the stratum
  scale_x_discrete(expand = c(.07, .07)) + 
  scale_y_discrete(expand = c(.007, .007)) + 
  scale_fill_viridis_c(aesthetics = c("colour", "fill")) +
  geom_text(stat = "stratum", size = 3.5, fontface = "bold", aes(label = after_stat(stratum))) +
  labs(title = "Targets of Top 20 Launched Drugs") +
  theme_void() 


target_alluvial

Save

MOA’s separated, string wrap labels

rhub_launched_39_top_moasep <- tidyr::separate_rows(rhub_launched_39_top30, MOA, sep = ",")

rhub_launched_39_top_moasep$MOA <- stringr::str_wrap(rhub_launched_39_top_moasep$MOA, width = 20)

rhub_launched_39_top_moasep$Disease.Area <- stringr::str_wrap(rhub_launched_39_top_moasep$Disease.Area, width = 30)

plot

moa_alluvial <- ggplot(data = rhub_launched_39_top_moasep,
       aes(axis1 = pert, axis2 = MOA)) +
  geom_alluvium(color = "black", aes(fill = WTCS)) + # , colour = trend)) + 
  geom_stratum(width = 3/12, color = "black") + #the border of the stratum
  scale_x_discrete(expand = c(.07, .07)) + 
  scale_y_discrete(expand = c(.007, .007)) + 
  scale_fill_viridis_c(aesthetics = c("colour", "fill")) +
  geom_text(stat = "stratum", size = 3.5, fontface = "bold", aes(label = after_stat(stratum))) +
  labs(title = "MOA of Top 30 Launched Drugs") +
  theme_void() 


moa_alluvial

Combined repurposing hub annotated dataset drugs

rHub_19_and_56 <-  merge(rHub_19, rHub_56, by = "pert")

rHub_all_inters <- merge(rHub_19_and_56, rHub_39,  by = "pert")

Save

Side effects

Data from onSides
adverse_reactions_bylabel - All extracted adverse reactions from the ADVERSE REACTIONS section of all labels. Each drug will have multiple labels over its lifetime (revisions, generic alternatives, etc.). This table contains the results of extracting adverse reactions from every label available for download from DailyMed. 2,764,338 rows.
label_map - Map between the xml_id (xml filename), zip_id (zip filename), and set_id (drug identifier). 45,989 rows.

reactions <- read.csv(here("data", "onsides_v01", "adverse_reactions.csv"))
reactions_unique <- unique(reactions$concept_name)

warnings <- read.csv(here("data", "onsides_v01", "boxed_warnings.csv"))

labels <- read.csv(here("data", "onsides_v01", "latest_labels_bydrug.csv"))

Looking at reactions for ‘launched’ drugs from P70/’39 results

onsides_39 <- dplyr::left_join(rhub_launched_39, labels, by = c("pert" = "ingredients"))

onsides_39 <- dplyr::left_join(onsides_39, reactions, by = c("latest_xml_id" = "xml_id"))
write.csv(onsides_39, file = here("res", "sigsearch_outputs", "adr_onsides_precystic_drugcandidates"))

Versions

R.Version()
## $platform
## [1] "x86_64-apple-darwin17.0"
## 
## $arch
## [1] "x86_64"
## 
## $os
## [1] "darwin17.0"
## 
## $system
## [1] "x86_64, darwin17.0"
## 
## $status
## [1] ""
## 
## $major
## [1] "4"
## 
## $minor
## [1] "2.0"
## 
## $year
## [1] "2022"
## 
## $month
## [1] "04"
## 
## $day
## [1] "22"
## 
## $`svn rev`
## [1] "82229"
## 
## $language
## [1] "R"
## 
## $version.string
## [1] "R version 4.2.0 (2022-04-22)"
## 
## $nickname
## [1] "Vigorous Calisthenics"
installed.packages()[names(sessionInfo()$otherPkgs), "Version"]
##         org.Hs.eg.db        AnnotationDbi  signatureSearchData 
##             "3.15.0"             "1.58.0"             "1.10.0" 
##                 here                rhdf5        ExperimentHub 
##              "1.0.1"             "2.40.0"              "2.4.0" 
##        AnnotationHub        BiocFileCache               dbplyr 
##              "3.4.0"              "2.4.0"              "2.2.1" 
##                readr           ggalluvial              ggplot2 
##              "2.1.2"             "0.12.3"              "3.3.6" 
##      signatureSearch SummarizedExperiment              Biobase 
##             "1.10.0"             "1.26.1"             "2.56.0" 
##        GenomicRanges         GenomeInfoDb              IRanges 
##             "1.48.0"             "1.32.2"             "2.30.0" 
##            S4Vectors         BiocGenerics       MatrixGenerics 
##             "0.34.0"             "0.42.0"              "1.8.1" 
##          matrixStats                 Rcpp 
##             "0.62.0"              "1.0.9"